CID 55265416

1-isocyano-2-(methylsulfanyl)ethane

Structural Information

Molecular Formula
C4H7NS
SMILES
CSCC[N+]#[C-]
InChI
InChI=1S/C4H7NS/c1-5-3-4-6-2/h3-4H2,2H3
InChIKey
FGQBPVHOUBONEN-UHFFFAOYSA-N
Compound name
1-isocyano-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

101.02992 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.03720 122.3
[M+Na]+ 124.01914 132.2
[M-H]- 100.02264 123.1
[M+NH4]+ 119.06374 143.3
[M+K]+ 139.99308 126.9
[M+H-H2O]+ 84.027180 116.4
[M+HCOO]- 146.02812 137.4
[M+CH3COO]- 160.04377 171.9
[M+Na-2H]- 122.00459 127.4
[M]+ 101.02937 116.4
[M]- 101.03047 116.4
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