CID 103664341

1700368-07-5

Structural Information

Molecular Formula
C21H21NO4
SMILES
CN(C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4(CCC4)C(=O)O
InChI
InChI=1S/C21H21NO4/c1-22(21(19(23)24)11-6-12-21)20(25)26-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,24)
InChIKey
FSCVZMKQHDWWQA-UHFFFAOYSA-N
Compound name
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.8
[M+Na]+ 374.13628 188.4
[M-H]- 350.13978 192.4
[M+NH4]+ 369.18088 195.9
[M+K]+ 390.11022 188.8
[M+H-H2O]+ 334.14432 172.3
[M+HCOO]- 396.14526 202.5
[M+CH3COO]- 410.16091 217.7
[M+Na-2H]- 372.12173 186.0
[M]+ 351.14651 195.1
[M]- 351.14761 195.1
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.