CID 121553166

1909313-24-1

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
C1CC(C(C1)(C(=O)O)N)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNO2/c14-11-5-3-9(4-6-11)8-10-2-1-7-13(10,15)12(16)17/h3-6,10H,1-2,7-8,15H2,(H,16,17)
InChIKey
WPJVOBZPHHIKRY-UHFFFAOYSA-N
Compound name
1-amino-2-[(4-chlorophenyl)methyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 155.5
[M+Na]+ 276.07618 166.1
[M+NH4]+ 271.12078 165.1
[M+K]+ 292.05012 159.9
[M-H]- 252.07968 158.5
[M+Na-2H]- 274.06163 162.3
[M]+ 253.08641 158.1
[M]- 253.08751 158.1
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.