CID 18350602

N-(3-aminopropyl)methanesulfonamide

Structural Information

Molecular Formula
C4H12N2O2S
SMILES
CS(=O)(=O)NCCCN
InChI
InChI=1S/C4H12N2O2S/c1-9(7,8)6-4-2-3-5/h6H,2-5H2,1H3
InChIKey
VFSHLEHNCCVYOM-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

152.06195 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.069226 129.4
[M+Na]+ 175.051168 136.4
[M-H]- 151.054674 129.4
[M+NH4]+ 170.095773 150.1
[M+K]+ 191.025108 134.7
[M+H-H2O]+ 135.059210 124.1
[M+HCOO]- 197.060151 148.7
[M+CH3COO]- 211.075801 176.6
[M+Na-2H]- 173.036616 134.1
[M]+ 152.06140142 130.1
[M]- 152.06249858 130.1
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