CID 25800

Alpha-methylmercaptohippuronitrile

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CSC(C#N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H10N2OS/c1-14-9(7-11)12-10(13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,12,13)
InChIKey
PIWOOBRDXRKMQO-UHFFFAOYSA-N
Compound name
N-[cyano(methylsulfanyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05139 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 143.0
[M+Na]+ 229.04061 153.0
[M+NH4]+ 224.08521 147.8
[M+K]+ 245.01455 142.9
[M-H]- 205.04411 138.0
[M+Na-2H]- 227.02606 146.5
[M]+ 206.05084 142.5
[M]- 206.05194 142.5
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.