CID 5126

Dl-alaninol

Structural Information

Molecular Formula

SMILES

CC(CO)N

InChI

InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3

InChIKey

BKMMTJMQCTUHRP-UHFFFAOYSA-N

Compound name

2-aminopropan-1-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 68
References: 23466
Patents: 75.06841 Da
Monoisotopic Mass: -1.0
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]+	76.075686	112.5
[M+Na]+	98.057628	121.7
[M+NH4]+	93.102233	120.6
[M+K]+	114.03157	117.7
[M-H]-	74.061134	112.0
[M+Na-2H]-	96.043076	116.2
[M]+	75.067861	113.3
[M]-	75.068959	113.3

Literature stripe

literature stripe

Patent stripe

patents stripe