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

95
Patents

177.07898 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.3
[M+Na]+ 200.06820 141.6
[M-H]- 176.07170 138.7
[M+NH4]+ 195.11280 147.0
[M+K]+ 216.04214 141.7
[M+H-H2O]+ 160.07624 124.4
[M+HCOO]- 222.07718 154.1
[M+CH3COO]- 236.09283 178.7
[M+Na-2H]- 198.05365 140.7
[M]+ 177.07843 141.0
[M]- 177.07953 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