CID 3059923

1,1-dipentylurea

Structural Information

Molecular Formula
C11H24N2O
SMILES
CCCCCN(CCCCC)C(=O)N
InChI
InChI=1S/C11H24N2O/c1-3-5-7-9-13(11(12)14)10-8-6-4-2/h3-10H2,1-2H3,(H2,12,14)
InChIKey
IRGIISRSKQVGJH-UHFFFAOYSA-N
Compound name
1,1-dipentylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

225
Patents

200.18886 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.19614 151.2
[M+Na]+ 223.17808 158.3
[M+NH4]+ 218.22268 157.8
[M+K]+ 239.15202 152.9
[M-H]- 199.18158 151.2
[M+Na-2H]- 221.16353 153.1
[M]+ 200.18831 151.7
[M]- 200.18941 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe