CID 42614242

2173999-60-3

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

C1C[C@@](C[C@H]1O)(C(=O)O)N

InChI

InChI=1S/C6H11NO3/c7-6(5(9)10)2-1-4(8)3-6/h4,8H,1-3,7H2,(H,9,10)/t4-,6+/m0/s1

InChIKey

WINVNQRFPOZMEY-UJURSFKZSA-N

Compound name

trans-(1R,3S)-1-amino-3-hydroxycyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 145.0739 Da
Monoisotopic Mass: -3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	146.081176	129.1
[M+Na]+	168.063118	135.6
[M-H]-	144.066624	129.6
[M+NH4]+	163.107723	152.1
[M+K]+	184.037058	134.3
[M+H-H2O]+	128.071160	125.4
[M+HCOO]-	190.072101	149.6
[M+CH3COO]-	204.087751	169.0
[M+Na-2H]-	166.048566	132.4
[M]+	145.07335142	123.8
[M]-	145.07444858	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe