CID 1531

2-amino-2-methyl-1,3-propanediol

Structural Information

Molecular Formula

C₄H₁₁NO₂

SMILES

CC(CO)(CO)N

InChI

InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3

InChIKey

UXFQFBNBSPQBJW-UHFFFAOYSA-N

Compound name

2-amino-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 33
References: 44362
Patents: 105.07898 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]+	106.08626	121.6
[M+Na]+	128.06820	128.3
[M-H]-	104.07170	119.0
[M+NH4]+	123.11280	142.8
[M+K]+	144.04214	127.6
[M+H-H2O]+	88.076240	117.9
[M+HCOO]-	150.07718	142.2
[M+CH3COO]-	164.09283	164.2
[M+Na-2H]-	126.05365	128.3
[M]+	105.07843	118.8
[M]-	105.07953	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe