CID 3034492

4-allyl-1,1-dimethylthiosemicarbazide

Structural Information

Molecular Formula
C6H13N3S
SMILES
CN(C)NC(=S)NCC=C
InChI
InChI=1S/C6H13N3S/c1-4-5-7-6(10)8-9(2)3/h4H,1,5H2,2-3H3,(H2,7,8,10)
InChIKey
FAMIEALNJSAQER-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08302 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.090296 135.4
[M+Na]+ 182.072238 140.5
[M-H]- 158.075744 137.0
[M+NH4]+ 177.116843 156.3
[M+K]+ 198.046178 139.4
[M+H-H2O]+ 142.080280 128.9
[M+HCOO]- 204.081221 156.0
[M+CH3COO]- 218.096871 186.7
[M+Na-2H]- 180.057686 137.7
[M]+ 159.08247142 135.1
[M]- 159.08356858 135.1
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

No patent data available for this compound.