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

32
Patents

189.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.053236 136.7
[M+Na]+ 212.035178 144.3
[M-H]- 188.038684 140.9
[M+NH4]+ 207.079783 150.7
[M+K]+ 228.009118 147.4
[M+H-H2O]+ 172.043220 121.7
[M+HCOO]- 234.044161 149.8
[M+CH3COO]- 248.059811 193.0
[M+Na-2H]- 210.020626 141.7
[M]+ 189.04541142 142.9
[M]- 189.04650858 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