CID 166000917

1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-4,4-dimethylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
CC1(CC(N1C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O)C
InChI
InChI=1S/C21H21NO4/c1-21(2)11-18(19(23)24)22(21)20(25)26-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)
InChIKey
GXKVQQNVLGSSPW-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.9
[M+Na]+ 374.13628 191.3
[M-H]- 350.13978 190.8
[M+NH4]+ 369.18088 195.2
[M+K]+ 390.11022 190.1
[M+H-H2O]+ 334.14432 172.8
[M+HCOO]- 396.14526 200.0
[M+CH3COO]- 410.16091 214.6
[M+Na-2H]- 372.12173 185.1
[M]+ 351.14651 196.1
[M]- 351.14761 196.1
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.