CID 5275649

Dtxsid10583657

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

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

InChI

InChI=1S/C7H13NO2/c1-7(8)4-2-3-5(7)6(9)10/h5H,2-4,8H2,1H3,(H,9,10)/t5-,7-/m0/s1

InChIKey

CHGRKLOXTORQLJ-FSPLSTOPSA-N

Compound name

(1R,2S)-2-amino-2-methylcyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 203
Patents: 143.09464 Da
Monoisotopic Mass: -1.8
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]+	144.10192	130.2
[M+Na]+	166.08386	136.8
[M-H]-	142.08736	132.0
[M+NH4]+	161.12846	154.1
[M+K]+	182.05780	135.6
[M+H-H2O]+	126.09190	126.3
[M+HCOO]-	188.09284	151.6
[M+CH3COO]-	202.10849	172.4
[M+Na-2H]-	164.06931	133.3
[M]+	143.09409	125.7
[M]-	143.09519	125.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.