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]+ 178.08626 134.7
[M+Na]+ 200.06820 140.5
[M-H]- 176.07170 138.5
[M+NH4]+ 195.11280 146.1
[M+K]+ 216.04214 141.4
[M+H-H2O]+ 160.07624 122.7
[M+HCOO]- 222.07718 154.0
[M+CH3COO]- 236.09283 181.1
[M+Na-2H]- 198.05365 139.7
[M]+ 177.07843 141.3
[M]- 177.07953 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