CID 11557316

3-cyanopropane-1-sulfonamide

Structural Information

Molecular Formula
C4H8N2O2S
SMILES
C(CC#N)CS(=O)(=O)N
InChI
InChI=1S/C4H8N2O2S/c5-3-1-2-4-9(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKey
GRLBVVXKOWNAMG-UHFFFAOYSA-N
Compound name
3-cyanopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

148.03065 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03793 133.8
[M+Na]+ 171.01987 143.3
[M-H]- 147.02337 135.1
[M+NH4]+ 166.06447 153.0
[M+K]+ 186.99381 142.7
[M+H-H2O]+ 131.02791 122.6
[M+HCOO]- 193.02885 149.1
[M+CH3COO]- 207.04450 186.0
[M+Na-2H]- 169.00532 137.7
[M]+ 148.03010 130.3
[M]- 148.03120 130.3
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

patents stripe