CID 97628814

1-(methanesulfonylmethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO2S
SMILES
CS(=O)(=O)CC1(CCC1)C#N
InChI
InChI=1S/C7H11NO2S/c1-11(9,10)6-7(5-8)3-2-4-7/h2-4,6H2,1H3
InChIKey
NJVQRVYFPAFGEJ-UHFFFAOYSA-N
Compound name
1-(methylsulfonylmethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05106 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05834 134.8
[M+Na]+ 196.04028 142.7
[M-H]- 172.04378 139.1
[M+NH4]+ 191.08488 149.4
[M+K]+ 212.01422 145.2
[M+H-H2O]+ 156.04832 119.9
[M+HCOO]- 218.04926 147.7
[M+CH3COO]- 232.06491 191.2
[M+Na-2H]- 194.02573 139.5
[M]+ 173.05051 139.7
[M]- 173.05161 139.7
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.