CID 218526

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

Structural Information

Molecular Formula
C11H24N2O
SMILES
CCCC(CCC)NC(=O)NCCC
InChI
InChI=1S/C11H24N2O/c1-4-7-10(8-5-2)13-11(14)12-9-6-3/h10H,4-9H2,1-3H3,(H2,12,13,14)
InChIKey
XJZUGONYGQDTEK-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.18886 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.19614 151.7
[M+Na]+ 223.17808 158.5
[M+NH4]+ 218.22268 158.1
[M+K]+ 239.15202 153.2
[M-H]- 199.18158 151.3
[M+Na-2H]- 221.16353 153.5
[M]+ 200.18831 152.1
[M]- 200.18941 152.1
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.