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]+ 254.094236 157.0
[M+Na]+ 276.076178 164.2
[M-H]- 252.079684 161.8
[M+NH4]+ 271.120783 177.3
[M+K]+ 292.050118 158.9
[M+H-H2O]+ 236.084220 152.1
[M+HCOO]- 298.085161 173.6
[M+CH3COO]- 312.100811 191.0
[M+Na-2H]- 274.061626 158.1
[M]+ 253.08641142 154.8
[M]- 253.08750858 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.