CID 3034492

6297-32-1

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]+ 160.09030 135.4
[M+Na]+ 182.07224 140.5
[M-H]- 158.07574 137.0
[M+NH4]+ 177.11684 156.3
[M+K]+ 198.04618 139.4
[M+H-H2O]+ 142.08028 128.9
[M+HCOO]- 204.08122 156.0
[M+CH3COO]- 218.09687 186.7
[M+Na-2H]- 180.05769 137.7
[M]+ 159.08247 135.1
[M]- 159.08357 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.