CID 6444510

Pseudourea, 2-cinnamyl-2-thio-, hydrochloride

Structural Information

Molecular Formula
C10H12N2S
SMILES
C1=CC=C(C=C1)/C=C/CSC(=N)N
InChI
InChI=1S/C10H12N2S/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H3,11,12)/b7-4+
InChIKey
MUZDURCTSAPRBE-QPJJXVBHSA-N
Compound name
[(E)-3-phenylprop-2-enyl] carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

192.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 141.5
[M+Na]+ 215.06133 147.4
[M-H]- 191.06483 144.3
[M+NH4]+ 210.10593 160.5
[M+K]+ 231.03527 142.8
[M+H-H2O]+ 175.06937 134.9
[M+HCOO]- 237.07031 161.0
[M+CH3COO]- 251.08596 185.0
[M+Na-2H]- 213.04678 144.4
[M]+ 192.07156 139.1
[M]- 192.07266 139.1
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