CID 83481980

1-phenylazetidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(CN1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)8-6-11(7-8)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,12,13)
InChIKey
WKVHIIIASLJOLP-UHFFFAOYSA-N
Compound name
1-phenylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

177.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 134.7
[M+Na]+ 200.068198 140.5
[M-H]- 176.071704 138.5
[M+NH4]+ 195.112803 146.1
[M+K]+ 216.042138 141.4
[M+H-H2O]+ 160.076240 122.7
[M+HCOO]- 222.077181 154.0
[M+CH3COO]- 236.092831 181.1
[M+Na-2H]- 198.053646 139.7
[M]+ 177.07843142 141.3
[M]- 177.07952858 141.3
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