CID 14275686

112941-27-2

Structural Information

Molecular Formula
C9H9N3S
SMILES
C1=CC=C(C(=C1)CSC(=N)N)C#N
InChI
InChI=1S/C9H9N3S/c10-5-7-3-1-2-4-8(7)6-13-9(11)12/h1-4H,6H2,(H3,11,12)
InChIKey
YAHINWSRTLILGF-UHFFFAOYSA-N
Compound name
(2-cyanophenyl)methyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.05171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 140.7
[M+Na]+ 214.04093 150.4
[M+NH4]+ 209.08553 145.6
[M+K]+ 230.01487 140.0
[M-H]- 190.04443 136.4
[M+Na-2H]- 212.02638 144.1
[M]+ 191.05116 140.2
[M]- 191.05226 140.2
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.