CID 156621079

1-(ethylsulfanyl)-3-isocyanopropane

Structural Information

Molecular Formula
C6H11NS
SMILES
CCSCCC[N+]#[C-]
InChI
InChI=1S/C6H11NS/c1-3-8-6-4-5-7-2/h3-6H2,1H3
InChIKey
SCFIJGATBQDJLQ-UHFFFAOYSA-N
Compound name
1-ethylsulfanyl-3-isocyanopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 130.3
[M+Na]+ 152.050438 139.4
[M-H]- 128.053944 130.8
[M+NH4]+ 147.095043 150.3
[M+K]+ 168.024378 133.6
[M+H-H2O]+ 112.058480 124.0
[M+HCOO]- 174.059421 144.9
[M+CH3COO]- 188.075071 177.4
[M+Na-2H]- 150.035886 134.5
[M]+ 129.06067142 125.1
[M]- 129.06176858 125.1
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

No patent data available for this compound.