CID 165894647

3-cyanocyclopentane-1-sulfonamide

Structural Information

Molecular Formula
C6H10N2O2S
SMILES
C1CC(CC1C#N)S(=O)(=O)N
InChI
InChI=1S/C6H10N2O2S/c7-4-5-1-2-6(3-5)11(8,9)10/h5-6H,1-3H2,(H2,8,9,10)
InChIKey
OOQAKKFSKPAEDI-UHFFFAOYSA-N
Compound name
3-cyanocyclopentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0463 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05358 143.6
[M+Na]+ 197.03552 153.4
[M-H]- 173.03902 147.3
[M+NH4]+ 192.08012 163.5
[M+K]+ 213.00946 151.2
[M+H-H2O]+ 157.04356 132.2
[M+HCOO]- 219.04450 158.0
[M+CH3COO]- 233.06015 188.9
[M+Na-2H]- 195.02097 145.0
[M]+ 174.04575 137.4
[M]- 174.04685 137.4
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

No patent data available for this compound.