CID 56604721

2-(cyclopropanesulfonyl)acetonitrile

Structural Information

Molecular Formula
C5H7NO2S
SMILES
C1CC1S(=O)(=O)CC#N
InChI
InChI=1S/C5H7NO2S/c6-3-4-9(7,8)5-1-2-5/h5H,1-2,4H2
InChIKey
VCXXULKHKGKURQ-UHFFFAOYSA-N
Compound name
2-cyclopropylsulfonylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

145.01974 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 129.3
[M+Na]+ 168.00896 145.2
[M-H]- 144.01246 136.6
[M+NH4]+ 163.05356 146.6
[M+K]+ 183.98290 140.7
[M+H-H2O]+ 128.01700 120.4
[M+HCOO]- 190.01794 146.4
[M+CH3COO]- 204.03359 186.8
[M+Na-2H]- 165.99441 135.9
[M]+ 145.01919 130.9
[M]- 145.02029 130.9
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