CID 414244

2-[(propan-2-yl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C)NCC(=O)O

InChI

InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)

InChIKey

HEPOIJKOXBKKNJ-UHFFFAOYSA-N

Compound name

2-(propan-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2914
Patents: 117.07898 Da
Monoisotopic Mass: -2.1
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]+	118.08626	124.6
[M+Na]+	140.06820	130.7
[M-H]-	116.07170	123.7
[M+NH4]+	135.11280	146.1
[M+K]+	156.04214	131.0
[M+H-H2O]+	100.07624	120.0
[M+HCOO]-	162.07718	146.9
[M+CH3COO]-	176.09283	171.0
[M+Na-2H]-	138.05365	129.2
[M]+	117.07843	123.6
[M]-	117.07953	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe