CID 91662876

70785-14-7

Structural Information

Molecular Formula
C7H13N3O2S
SMILES
CC(C(=O)NNC(=S)NCC=C)O
InChI
InChI=1S/C7H13N3O2S/c1-3-4-8-7(13)10-9-6(12)5(2)11/h3,5,11H,1,4H2,2H3,(H,9,12)(H2,8,10,13)
InChIKey
HZHHLBIFTROZJX-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropanoylamino)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07285 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08013 146.2
[M+Na]+ 226.06207 149.9
[M-H]- 202.06557 144.7
[M+NH4]+ 221.10667 163.7
[M+K]+ 242.03601 147.6
[M+H-H2O]+ 186.07011 139.7
[M+HCOO]- 248.07105 163.2
[M+CH3COO]- 262.08670 187.7
[M+Na-2H]- 224.04752 146.2
[M]+ 203.07230 143.8
[M]- 203.07340 143.8
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

No patent data available for this compound.