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 157.0
[M+Na]+ 276.07618 164.2
[M-H]- 252.07968 161.8
[M+NH4]+ 271.12078 177.3
[M+K]+ 292.05012 158.9
[M+H-H2O]+ 236.08422 152.1
[M+HCOO]- 298.08516 173.6
[M+CH3COO]- 312.10081 191.0
[M+Na-2H]- 274.06163 158.1
[M]+ 253.08641 154.8
[M]- 253.08751 154.8
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.