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

28
Patents

148.03065 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.037926 133.8
[M+Na]+ 171.019868 143.3
[M-H]- 147.023374 135.1
[M+NH4]+ 166.064473 153.0
[M+K]+ 186.993808 142.7
[M+H-H2O]+ 131.027910 122.6
[M+HCOO]- 193.028851 149.1
[M+CH3COO]- 207.044501 186.0
[M+Na-2H]- 169.005316 137.7
[M]+ 148.03010142 130.3
[M]- 148.03119858 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