CID 71649516

N-cyclopropyl-1-(pyridin-4-yl)methanesulfonamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CC1NS(=O)(=O)CC2=CC=NC=C2
InChI
InChI=1S/C9H12N2O2S/c12-14(13,11-9-1-2-9)7-8-3-5-10-6-4-8/h3-6,9,11H,1-2,7H2
InChIKey
AEGYMHWSFXFXIY-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1-pyridin-4-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 143.4
[M+Na]+ 235.051168 152.6
[M-H]- 211.054674 149.6
[M+NH4]+ 230.095773 156.1
[M+K]+ 251.025108 148.5
[M+H-H2O]+ 195.059210 136.2
[M+HCOO]- 257.060151 162.4
[M+CH3COO]- 271.075801 187.0
[M+Na-2H]- 233.036616 149.7
[M]+ 212.06140142 147.0
[M]- 212.06249858 147.0
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

No patent data available for this compound.