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

16
Patents

113.02992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.03720 117.9
[M+Na]+ 136.01914 134.1
[M-H]- 112.02264 125.6
[M+NH4]+ 131.06374 138.3
[M+K]+ 151.99308 130.2
[M+H-H2O]+ 96.027180 110.1
[M+HCOO]- 158.02812 135.7
[M+CH3COO]- 172.04377 184.4
[M+Na-2H]- 134.00459 125.8
[M]+ 113.02937 119.3
[M]- 113.03047 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