CID 3038280

Triallylthiourea

Structural Information

Molecular Formula
C10H16N2S
SMILES
C=CCNC(=S)N(CC=C)CC=C
InChI
InChI=1S/C10H16N2S/c1-4-7-11-10(13)12(8-5-2)9-6-3/h4-6H,1-3,7-9H2,(H,11,13)
InChIKey
ZHEVXOJWYZGAHS-UHFFFAOYSA-N
Compound name
1,1,3-tris(prop-2-enyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

196.10342 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11070 146.7
[M+Na]+ 219.09264 151.7
[M-H]- 195.09614 147.9
[M+NH4]+ 214.13724 166.5
[M+K]+ 235.06658 148.5
[M+H-H2O]+ 179.10068 140.4
[M+HCOO]- 241.10162 165.7
[M+CH3COO]- 255.11727 192.0
[M+Na-2H]- 217.07809 146.9
[M]+ 196.10287 147.5
[M]- 196.10397 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe