CID 89962764

3-cyanocyclobutyl methanesulfonate

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 130.8
[M+Na]+ 198.01954 135.7
[M+NH4]+ 193.06414 131.4
[M+K]+ 213.99348 129.7
[M-H]- 174.02304 121.2
[M+Na-2H]- 196.00499 130.0
[M]+ 175.02977 127.1
[M]- 175.03087 127.1
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