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]+ 130.06850 130.3
[M+Na]+ 152.05044 139.4
[M-H]- 128.05394 130.8
[M+NH4]+ 147.09504 150.3
[M+K]+ 168.02438 133.6
[M+H-H2O]+ 112.05848 124.0
[M+HCOO]- 174.05942 144.9
[M+CH3COO]- 188.07507 177.4
[M+Na-2H]- 150.03589 134.5
[M]+ 129.06067 125.1
[M]- 129.06177 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.