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

1
Patents

212.10957 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11685 154.1
[M+Na]+ 235.09879 159.9
[M-H]- 211.10229 157.1
[M+NH4]+ 230.14339 171.5
[M+K]+ 251.07273 160.2
[M+H-H2O]+ 195.10683 140.4
[M+HCOO]- 257.10777 170.7
[M+CH3COO]- 271.12342 210.8
[M+Na-2H]- 233.08424 154.3
[M]+ 212.10902 151.0
[M]- 212.11012 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