CID 3024664

Hydrazinecarbothioamide, 1-(2-cyanoethyl)-2,2-dimethyl-n-2-propenyl-

Structural Information

Molecular Formula
C9H16N4S
SMILES
CN(C)N(CCC#N)C(=S)NCC=C
InChI
InChI=1S/C9H16N4S/c1-4-7-11-9(14)13(12(2)3)8-5-6-10/h4H,1,5,7-8H2,2-3H3,(H,11,14)
InChIKey
MDQQODDURLZLIT-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-1-(dimethylamino)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.10957 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.116846 154.1
[M+Na]+ 235.098788 159.9
[M-H]- 211.102294 157.1
[M+NH4]+ 230.143393 171.5
[M+K]+ 251.072728 160.2
[M+H-H2O]+ 195.106830 140.4
[M+HCOO]- 257.107771 170.7
[M+CH3COO]- 271.123421 210.8
[M+Na-2H]- 233.084236 154.3
[M]+ 212.10902142 151.0
[M]- 212.11011858 151.0
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