CID 1512647

1-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C20H19NO4
SMILES
C1CC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H19NO4/c22-18(23)20(10-5-11-20)21-19(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,21,24)(H,22,23)
InChIKey
QGLSMDZVGLRTKH-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

337.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 179.0
[M+Na]+ 360.12062 183.1
[M-H]- 336.12412 185.6
[M+NH4]+ 355.16522 190.2
[M+K]+ 376.09456 182.3
[M+H-H2O]+ 320.12866 166.9
[M+HCOO]- 382.12960 196.7
[M+CH3COO]- 396.14525 211.7
[M+Na-2H]- 358.10607 181.7
[M]+ 337.13085 188.0
[M]- 337.13195 188.0
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

patents stripe