CID 426846

Methanesulfonic acid, 3-(dimethylamino)propyl ester, hydrochloride

Structural Information

Molecular Formula

C₆H₁₅NO₃S

SMILES

CN(C)CCCOS(=O)(=O)C

InChI

InChI=1S/C6H15NO3S/c1-7(2)5-4-6-10-11(3,8)9/h4-6H2,1-3H3

InChIKey

DMUAMSFZSOIBAR-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 181.07727 Da
Monoisotopic Mass: 0.0
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]+	182.08455	137.2
[M+Na]+	204.06649	144.4
[M-H]-	180.06999	139.2
[M+NH4]+	199.11109	158.1
[M+K]+	220.04043	144.7
[M+H-H2O]+	164.07453	131.9
[M+HCOO]-	226.07547	156.5
[M+CH3COO]-	240.09112	183.9
[M+Na-2H]-	202.05194	141.2
[M]+	181.07672	143.4
[M]-	181.07782	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe