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]+ 193.079386 141.5
[M+Na]+ 215.061328 147.4
[M-H]- 191.064834 144.3
[M+NH4]+ 210.105933 160.5
[M+K]+ 231.035268 142.8
[M+H-H2O]+ 175.069370 134.9
[M+HCOO]- 237.070311 161.0
[M+CH3COO]- 251.085961 185.0
[M+Na-2H]- 213.046776 144.4
[M]+ 192.07156142 139.1
[M]- 192.07265858 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