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

10
Patents

144.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 131.1
[M+Na]+ 167.06133 137.0
[M-H]- 143.06483 131.4
[M+NH4]+ 162.10593 152.4
[M+K]+ 183.03527 134.6
[M+H-H2O]+ 127.06937 125.5
[M+HCOO]- 189.07031 150.4
[M+CH3COO]- 203.08596 178.3
[M+Na-2H]- 165.04678 133.8
[M]+ 144.07156 130.4
[M]- 144.07266 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