CID 130872626

1935170-13-0

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1(CN(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H19NO4/c1-20(18(22)23)11-21(12-20)19(24)25-10-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17H,10-12H2,1H3,(H,22,23)
InChIKey
YURGDOUBZIDRBV-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-methylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 180.0
[M+Na]+ 360.12062 186.0
[M-H]- 336.12412 185.7
[M+NH4]+ 355.16522 190.6
[M+K]+ 376.09456 185.0
[M+H-H2O]+ 320.12866 167.8
[M+HCOO]- 382.12960 195.5
[M+CH3COO]- 396.14525 210.5
[M+Na-2H]- 358.10607 181.4
[M]+ 337.13085 190.5
[M]- 337.13195 190.5
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.