CID 74947228

Schembl28004131

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CC1(CCCC1)C(C(=O)O)N

InChI

InChI=1S/C8H15NO2/c1-8(4-2-3-5-8)6(9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)

InChIKey

BTQSWRBSXLFCPG-UHFFFAOYSA-N

Compound name

2-amino-2-(1-methylcyclopentyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 157.11028 Da
Monoisotopic Mass: -1.1
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]+	158.11756	136.3
[M+Na]+	180.09950	141.3
[M-H]-	156.10300	137.6
[M+NH4]+	175.14410	159.2
[M+K]+	196.07344	140.4
[M+H-H2O]+	140.10754	131.9
[M+HCOO]-	202.10848	156.4
[M+CH3COO]-	216.12413	175.1
[M+Na-2H]-	178.08495	138.2
[M]+	157.10973	131.1
[M]-	157.11083	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe