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]+ 213.19614 156.3
[M+Na]+ 235.17808 159.5
[M-H]- 211.18158 155.6
[M+NH4]+ 230.22268 174.4
[M+K]+ 251.15202 157.8
[M+H-H2O]+ 195.18612 149.9
[M+HCOO]- 257.18706 178.8
[M+CH3COO]- 271.20271 195.6
[M+Na-2H]- 233.16353 157.9
[M]+ 212.18831 156.7
[M]- 212.18941 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.