CID 22263

1,3-bis(dimethylamino)-2-propanol

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CN(C)CC(CN(C)C)O

InChI

InChI=1S/C7H18N2O/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3

InChIKey

JGVZJRHAZOBPMW-UHFFFAOYSA-N

Compound name

1,3-bis(dimethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 1399
Patents: 146.1419 Da
Monoisotopic Mass: -0.3
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]+	147.14918	134.6
[M+Na]+	169.13112	142.4
[M+NH4]+	164.17572	142.2
[M+K]+	185.10506	138.6
[M-H]-	145.13462	135.0
[M+Na-2H]-	167.11657	137.8
[M]+	146.14135	135.5
[M]-	146.14245	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe