CID 165889010

3-{1-[(benzyloxy)carbonyl]azetidin-3-yl}bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C17H19NO4
SMILES
C1C(CN1C(=O)OCC2=CC=CC=C2)C34CC(C3)(C4)C(=O)O
InChI
InChI=1S/C17H19NO4/c19-14(20)17-9-16(10-17,11-17)13-6-18(7-13)15(21)22-8-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,19,20)
InChIKey
VWGJAXDOFFSOQY-UHFFFAOYSA-N
Compound name
3-(1-phenylmethoxycarbonylazetidin-3-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 188.3
[M+Na]+ 324.12062 183.2
[M+NH4]+ 319.16522 184.4
[M+K]+ 340.09456 181.8
[M-H]- 300.12412 181.8
[M+Na-2H]- 322.10607 183.2
[M]+ 301.13085 182.9
[M]- 301.13195 182.9
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.