CID 3034598

N-allyl-n'-ethylthiourea

Structural Information

Molecular Formula
C6H12N2S
SMILES
CCNC(=S)NCC=C
InChI
InChI=1S/C6H12N2S/c1-3-5-8-6(9)7-4-2/h3H,1,4-5H2,2H3,(H2,7,8,9)
InChIKey
MMNIUSWSBKDYQT-UHFFFAOYSA-N
Compound name
1-ethyl-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

144.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.079386 131.1
[M+Na]+ 167.061328 137.0
[M-H]- 143.064834 131.4
[M+NH4]+ 162.105933 152.4
[M+K]+ 183.035268 134.6
[M+H-H2O]+ 127.069370 125.5
[M+HCOO]- 189.070311 150.4
[M+CH3COO]- 203.085961 178.3
[M+Na-2H]- 165.046776 133.8
[M]+ 144.07156142 130.4
[M]- 144.07265858 130.4
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