CID 60042

1112-24-9

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

CN(C)C(CO)(CO)CO

InChI

InChI=1S/C6H15NO3/c1-7(2)6(3-8,4-9)5-10/h8-10H,3-5H2,1-2H3

InChIKey

FGLZHYIVVZTBQJ-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-2-(hydroxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 344
Patents: 149.1052 Da
Monoisotopic Mass: -1.9
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]+	150.112476	133.2
[M+Na]+	172.094418	138.8
[M-H]-	148.097924	130.8
[M+NH4]+	167.139023	152.8
[M+K]+	188.068358	138.9
[M+H-H2O]+	132.102460	128.9
[M+HCOO]-	194.103401	153.1
[M+CH3COO]-	208.119051	173.9
[M+Na-2H]-	170.079866	138.8
[M]+	149.10465142	133.0
[M]-	149.10574858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe