CID 64259701

1-(2-cyanophenyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1C(CN1C2=CC=CC=C2C#N)C(=O)O
InChI
InChI=1S/C11H10N2O2/c12-5-8-3-1-2-4-10(8)13-6-9(7-13)11(14)15/h1-4,9H,6-7H2,(H,14,15)
InChIKey
VZKGIBUJPUJLNV-UHFFFAOYSA-N
Compound name
1-(2-cyanophenyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 139.7
[M+Na]+ 225.063448 147.4
[M-H]- 201.066954 142.8
[M+NH4]+ 220.108053 149.0
[M+K]+ 241.037388 148.3
[M+H-H2O]+ 185.071490 121.6
[M+HCOO]- 247.072431 155.4
[M+CH3COO]- 261.088081 197.9
[M+Na-2H]- 223.048896 143.2
[M]+ 202.07368142 141.1
[M]- 202.07477858 141.1
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.