CID 87721266

N-ethynyl-n-methylmethanesulfonamide

Structural Information

Molecular Formula
C4H7NO2S
SMILES
CN(C#C)S(=O)(=O)C
InChI
InChI=1S/C4H7NO2S/c1-4-5(2)8(3,6)7/h1H,2-3H3
InChIKey
FDDFDBVFFAXHJD-UHFFFAOYSA-N
Compound name
N-ethynyl-N-methylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

133.01974 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.027016 129.5
[M+Na]+ 156.008958 139.8
[M-H]- 132.012464 131.7
[M+NH4]+ 151.053563 149.9
[M+K]+ 171.982898 140.0
[M+H-H2O]+ 116.017000 119.0
[M+HCOO]- 178.017941 143.7
[M+CH3COO]- 192.033591 183.0
[M+Na-2H]- 153.994406 133.2
[M]+ 133.01919142 127.3
[M]- 133.02028858 127.3
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