CID 126815837

1-[(benzyloxy)carbonyl]-3,3-dimethylazetidine-2-carboxylic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C14H17NO4/c1-14(2)9-15(11(14)12(16)17)13(18)19-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)
InChIKey
NSZYTQBIBSFFHI-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 161.8
[M+Na]+ 286.10497 168.0
[M+NH4]+ 281.14957 164.9
[M+K]+ 302.07891 163.8
[M-H]- 262.10847 159.6
[M+Na-2H]- 284.09042 165.0
[M]+ 263.11520 160.7
[M]- 263.11630 160.7
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.