CID 177789212

2-[(1s,2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]acetic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C1C[C@H]([C@@H]1CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)11-13-9-10-19(13)22-21(25)26-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19H,9-12H2,(H,22,25)(H,23,24)/t13-,19+/m0/s1
InChIKey
RHASGVLJFVPVTQ-ORAYPTAESA-N
Compound name
2-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 181.1
[M+Na]+ 374.13628 184.3
[M-H]- 350.13978 187.4
[M+NH4]+ 369.18088 189.9
[M+K]+ 390.11022 183.6
[M+H-H2O]+ 334.14432 168.2
[M+HCOO]- 396.14526 198.4
[M+CH3COO]- 410.16091 216.3
[M+Na-2H]- 372.12173 181.6
[M]+ 351.14651 190.3
[M]- 351.14761 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.