CID 73305

Cispentacin

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1C[C@H]([C@H](C1)N)C(=O)O

InChI

InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m1/s1

InChIKey

JWYOAMOZLZXDER-UHNVWZDZSA-N

Compound name

cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 66
References: 2283
Patents: 129.07898 Da
Monoisotopic Mass: -2.0
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]+	130.086256	126.6
[M+Na]+	152.068198	132.6
[M-H]-	128.071704	128.2
[M+NH4]+	147.112803	149.0
[M+K]+	168.042138	131.6
[M+H-H2O]+	112.076240	121.7
[M+HCOO]-	174.077181	148.3
[M+CH3COO]-	188.092831	169.8
[M+Na-2H]-	150.053646	128.9
[M]+	129.07843142	121.3
[M]-	129.07952858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe