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

78
Patents

175.03032 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.037596 130.5
[M+Na]+ 198.019538 138.2
[M-H]- 174.023044 134.8
[M+NH4]+ 193.064143 143.4
[M+K]+ 213.993478 142.1
[M+H-H2O]+ 158.027580 114.5
[M+HCOO]- 220.028521 143.8
[M+CH3COO]- 234.044171 191.8
[M+Na-2H]- 196.004986 134.1
[M]+ 175.02977142 136.2
[M]- 175.03086858 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