CID 22102235

1-(methylsulfanyl)cyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C5H7NS
SMILES
CSC1(CC1)C#N
InChI
InChI=1S/C5H7NS/c1-7-5(4-6)2-3-5/h2-3H2,1H3
InChIKey
GWRIBAFKFJDIAG-UHFFFAOYSA-N
Compound name
1-methylsulfanylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

113.02992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.037196 117.9
[M+Na]+ 136.019138 134.1
[M-H]- 112.022644 125.6
[M+NH4]+ 131.063743 138.3
[M+K]+ 151.993078 130.2
[M+H-H2O]+ 96.027180 110.1
[M+HCOO]- 158.028121 135.7
[M+CH3COO]- 172.043771 184.4
[M+Na-2H]- 134.004586 125.8
[M]+ 113.02937142 119.3
[M]- 113.03046858 119.3
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