CID 11600672

1909314-12-0

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CC1(CC(=O)O)CN

InChI

InChI=1S/C6H11NO2/c7-4-6(1-2-6)3-5(8)9/h1-4,7H2,(H,8,9)

InChIKey

IDKBFOVECMUFKX-UHFFFAOYSA-N

Compound name

2-[1-(aminomethyl)cyclopropyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 129.07898 Da
Monoisotopic Mass: -2.9
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]+	130.08626	125.5
[M+Na]+	152.06820	134.3
[M-H]-	128.07170	128.8
[M+NH4]+	147.11280	143.4
[M+K]+	168.04214	132.7
[M+H-H2O]+	112.07624	121.4
[M+HCOO]-	174.07718	148.0
[M+CH3COO]-	188.09283	174.3
[M+Na-2H]-	150.05365	131.9
[M]+	129.07843	126.6
[M]-	129.07953	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe