CID 23010539

N-(3-aminopropyl)-n-methylmethanesulfonamide hydrochloride

Structural Information

Molecular Formula
C5H14N2O2S
SMILES
CN(CCCN)S(=O)(=O)C
InChI
InChI=1S/C5H14N2O2S/c1-7(5-3-4-6)10(2,8)9/h3-6H2,1-2H3
InChIKey
CXRSTZVOJUPENN-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

166.0776 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08488 133.9
[M+Na]+ 189.06682 140.6
[M-H]- 165.07032 135.3
[M+NH4]+ 184.11142 154.7
[M+K]+ 205.04076 140.2
[M+H-H2O]+ 149.07486 128.3
[M+HCOO]- 211.07580 153.5
[M+CH3COO]- 225.09145 183.0
[M+Na-2H]- 187.05227 137.5
[M]+ 166.07705 136.3
[M]- 166.07815 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe