CID 14025440

N-(prop-2-yn-1-yl)methanesulfonamide

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CS(=O)(=O)NCC#C
InChI
InChI=1S/C4H7NO2S/c1-3-4-5-8(2,6)7/h1,5H,4H2,2H3
InChIKey
ARSQCIRDYSOFEN-UHFFFAOYSA-N
Compound name
N-prop-2-ynylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

133.01974 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 130.2
[M+Na]+ 156.008958 140.4
[M-H]- 132.012464 131.1
[M+NH4]+ 151.053563 150.1
[M+K]+ 171.982898 139.3
[M+H-H2O]+ 116.017000 119.9
[M+HCOO]- 178.017941 144.1
[M+CH3COO]- 192.033591 179.9
[M+Na-2H]- 153.994406 134.5
[M]+ 133.01919142 126.9
[M]- 133.02028858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe