CID 17872329

1-isocyanato-2-(methylsulfanyl)ethane

Structural Information

Molecular Formula
C4H7NOS
SMILES
CSCCN=C=O
InChI
InChI=1S/C4H7NOS/c1-7-3-2-5-4-6/h2-3H2,1H3
InChIKey
AAEBLLZFCQTPAW-UHFFFAOYSA-N
Compound name
1-isocyanato-2-methylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

117.02483 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.03211 123.0
[M+Na]+ 140.01405 133.1
[M+NH4]+ 135.05865 131.7
[M+K]+ 155.98799 125.0
[M-H]- 116.01755 123.7
[M+Na-2H]- 137.99950 127.1
[M]+ 117.02428 124.9
[M]- 117.02538 124.9
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