CID 89962764

2278286-89-6

Structural Information

Molecular Formula
C6H9NO3S
SMILES
CS(=O)(=O)OC1CC(C1)C#N
InChI
InChI=1S/C6H9NO3S/c1-11(8,9)10-6-2-5(3-6)4-7/h5-6H,2-3H2,1H3
InChIKey
DZOGRBQOXFVBEU-UHFFFAOYSA-N
Compound name
(3-cyanocyclobutyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

175.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03760 130.5
[M+Na]+ 198.01954 138.2
[M-H]- 174.02304 134.8
[M+NH4]+ 193.06414 143.4
[M+K]+ 213.99348 142.1
[M+H-H2O]+ 158.02758 114.5
[M+HCOO]- 220.02852 143.8
[M+CH3COO]- 234.04417 191.8
[M+Na-2H]- 196.00499 134.1
[M]+ 175.02977 136.2
[M]- 175.03087 136.2
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