CID 218538

Urea, n-2-propenyl-n'-(2-propylpentyl)-

Structural Information

Molecular Formula
C12H24N2O
SMILES
CCCC(CCC)CNC(=O)NCC=C
InChI
InChI=1S/C12H24N2O/c1-4-7-11(8-5-2)10-14-12(15)13-9-6-3/h6,11H,3-5,7-10H2,1-2H3,(H2,13,14,15)
InChIKey
AYVCBPLLPHTXLW-UHFFFAOYSA-N
Compound name
1-prop-2-enyl-3-(2-propylpentyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.18886 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.196136 156.3
[M+Na]+ 235.178078 159.5
[M-H]- 211.181584 155.6
[M+NH4]+ 230.222683 174.4
[M+K]+ 251.152018 157.8
[M+H-H2O]+ 195.186120 149.9
[M+HCOO]- 257.187061 178.8
[M+CH3COO]- 271.202711 195.6
[M+Na-2H]- 233.163526 157.9
[M]+ 212.18831142 156.7
[M]- 212.18940858 156.7
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.