CID 20705784

2-[(2-hydroxyethyl)sulfanyl]acetonitrile

Structural Information

Molecular Formula
C4H7NOS
SMILES
C(CSCC#N)O
InChI
InChI=1S/C4H7NOS/c5-1-3-7-4-2-6/h6H,2-4H2
InChIKey
ZZCDCSOYEKXMGS-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfanyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

117.02483 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.03211 117.9
[M+Na]+ 140.01405 127.6
[M+NH4]+ 135.05865 123.1
[M+K]+ 155.98799 118.0
[M-H]- 116.01755 110.7
[M+Na-2H]- 137.99950 119.6
[M]+ 117.02428 116.7
[M]- 117.02538 116.7
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