CID 60056869

(1-cyanocyclobutyl)methyl methanesulfonate

Structural Information

Molecular Formula
C7H11NO3S
SMILES
CS(=O)(=O)OCC1(CCC1)C#N
InChI
InChI=1S/C7H11NO3S/c1-12(9,10)11-6-7(5-8)3-2-4-7/h2-4,6H2,1H3
InChIKey
VJKGIRCOUCEJMQ-UHFFFAOYSA-N
Compound name
(1-cyanocyclobutyl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

189.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05324 136.7
[M+Na]+ 212.03518 144.3
[M-H]- 188.03868 140.9
[M+NH4]+ 207.07978 150.7
[M+K]+ 228.00912 147.4
[M+H-H2O]+ 172.04322 121.7
[M+HCOO]- 234.04416 149.8
[M+CH3COO]- 248.05981 193.0
[M+Na-2H]- 210.02063 141.7
[M]+ 189.04541 142.9
[M]- 189.04651 142.9
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