CID 10855788

N-(1-cyano-1-methylethyl)methanesulfonamide

Structural Information

Molecular Formula
C5H10N2O2S
SMILES
CC(C)(C#N)NS(=O)(=O)C
InChI
InChI=1S/C5H10N2O2S/c1-5(2,4-6)7-10(3,8)9/h7H,1-3H3
InChIKey
ZKXUNXWGAUQSNM-UHFFFAOYSA-N
Compound name
N-(2-cyanopropan-2-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

162.0463 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05358 140.8
[M+Na]+ 185.03552 150.1
[M-H]- 161.03902 142.7
[M+NH4]+ 180.08012 159.8
[M+K]+ 201.00946 150.2
[M+H-H2O]+ 145.04356 129.9
[M+HCOO]- 207.04450 154.9
[M+CH3COO]- 221.06015 189.7
[M+Na-2H]- 183.02097 145.7
[M]+ 162.04575 138.0
[M]- 162.04685 138.0
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