CID 3023204

93982-42-4

Structural Information

Molecular Formula
C7H15N3O3
SMILES
C=CCOCC(CNNC(=O)N)O
InChI
InChI=1S/C7H15N3O3/c1-2-3-13-5-6(11)4-9-10-7(8)12/h2,6,9,11H,1,3-5H2,(H3,8,10,12)
InChIKey
QYOYLWSRBFQKOD-UHFFFAOYSA-N
Compound name
[(2-hydroxy-3-prop-2-enoxypropyl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11134 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.118616 141.9
[M+Na]+ 212.100558 145.6
[M-H]- 188.104064 139.9
[M+NH4]+ 207.145163 159.2
[M+K]+ 228.074498 145.0
[M+H-H2O]+ 172.108600 135.4
[M+HCOO]- 234.109541 165.2
[M+CH3COO]- 248.125191 187.5
[M+Na-2H]- 210.086006 144.8
[M]+ 189.11079142 139.5
[M]- 189.11188858 139.5
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.