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]+ 213.06923 143.4
[M+Na]+ 235.05117 152.6
[M-H]- 211.05467 149.6
[M+NH4]+ 230.09577 156.1
[M+K]+ 251.02511 148.5
[M+H-H2O]+ 195.05921 136.2
[M+HCOO]- 257.06015 162.4
[M+CH3COO]- 271.07580 187.0
[M+Na-2H]- 233.03662 149.7
[M]+ 212.06140 147.0
[M]- 212.06250 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.