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]+ 203.08151 139.7
[M+Na]+ 225.06345 147.4
[M-H]- 201.06695 142.8
[M+NH4]+ 220.10805 149.0
[M+K]+ 241.03739 148.3
[M+H-H2O]+ 185.07149 121.6
[M+HCOO]- 247.07243 155.4
[M+CH3COO]- 261.08808 197.9
[M+Na-2H]- 223.04890 143.2
[M]+ 202.07368 141.1
[M]- 202.07478 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.