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

20
Patents

166.0776 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.084876 133.9
[M+Na]+ 189.066818 140.6
[M-H]- 165.070324 135.3
[M+NH4]+ 184.111423 154.7
[M+K]+ 205.040758 140.2
[M+H-H2O]+ 149.074860 128.3
[M+HCOO]- 211.075801 153.5
[M+CH3COO]- 225.091451 183.0
[M+Na-2H]- 187.052266 137.5
[M]+ 166.07705142 136.3
[M]- 166.07814858 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