CID 218527

Urea, 1-allyl-3-(4-heptyl)-

Structural Information

Molecular Formula
C11H22N2O
SMILES
CCCC(CCC)NC(=O)NCC=C
InChI
InChI=1S/C11H22N2O/c1-4-7-10(8-5-2)13-11(14)12-9-6-3/h6,10H,3-5,7-9H2,1-2H3,(H2,12,13,14)
InChIKey
ZUQYRNJZPLAUMM-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.18050 150.9
[M+Na]+ 221.16244 157.8
[M+NH4]+ 216.20704 157.1
[M+K]+ 237.13638 152.4
[M-H]- 197.16594 150.3
[M+Na-2H]- 219.14789 152.6
[M]+ 198.17267 151.2
[M]- 198.17377 151.2
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.