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 148.0
[M+Na]+ 214.04093 156.9
[M-H]- 190.04443 151.3
[M+NH4]+ 209.08553 165.4
[M+K]+ 230.01487 153.2
[M+H-H2O]+ 174.04897 135.3
[M+HCOO]- 236.04991 164.0
[M+CH3COO]- 250.06556 197.7
[M+Na-2H]- 212.02638 150.1
[M]+ 191.05116 141.5
[M]- 191.05226 141.5
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.