CID 12150520

158980-44-0

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1[C@H]([C@@H](N1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C10H11NO2/c12-10(13)9-8(6-11-9)7-4-2-1-3-5-7/h1-5,8-9,11H,6H2,(H,12,13)/t8-,9+/m0/s1
InChIKey
CCKKROBXZIZREN-DTWKUNHWSA-N
Compound name
(2R,3R)-3-phenylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

177.07898 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 136.3
[M+Na]+ 200.068198 141.6
[M-H]- 176.071704 138.7
[M+NH4]+ 195.112803 147.0
[M+K]+ 216.042138 141.7
[M+H-H2O]+ 160.076240 124.4
[M+HCOO]- 222.077181 154.1
[M+CH3COO]- 236.092831 178.7
[M+Na-2H]- 198.053646 140.7
[M]+ 177.07843142 141.0
[M]- 177.07952858 141.0
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