CID 53840847

Cyclopentyl (2s)-2-amino-3-phenylpropanoate hydrochloride

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCC(C1)OC(=O)[C@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C14H19NO2/c15-13(10-11-6-2-1-3-7-11)14(16)17-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10,15H2/t13-/m0/s1
InChIKey
GIYPQZJJERZOKW-ZDUSSCGKSA-N
Compound name
cyclopentyl (2S)-2-amino-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.9
[M+Na]+ 256.13081 159.1
[M-H]- 232.13431 161.0
[M+NH4]+ 251.17541 174.1
[M+K]+ 272.10475 156.8
[M+H-H2O]+ 216.13885 148.6
[M+HCOO]- 278.13979 177.1
[M+CH3COO]- 292.15544 191.1
[M+Na-2H]- 254.11626 156.3
[M]+ 233.14104 151.9
[M]- 233.14214 151.9
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

patents stripe