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 160.7
[M+Na]+ 286.10497 166.1
[M-H]- 262.10847 164.6
[M+NH4]+ 281.14957 170.7
[M+K]+ 302.07891 167.5
[M+H-H2O]+ 246.11301 149.0
[M+HCOO]- 308.11395 178.1
[M+CH3COO]- 322.12960 196.4
[M+Na-2H]- 284.09042 162.5
[M]+ 263.11520 170.6
[M]- 263.11630 170.6
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.