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

22
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 122.1
[M+Na]+ 140.01405 131.8
[M-H]- 116.01755 122.8
[M+NH4]+ 135.05865 142.7
[M+K]+ 155.98799 131.0
[M+H-H2O]+ 100.02209 111.6
[M+HCOO]- 162.02303 137.0
[M+CH3COO]- 176.03868 179.5
[M+Na-2H]- 137.99950 126.4
[M]+ 117.02428 119.4
[M]- 117.02538 119.4
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