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

243
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 152.9
[M+Na]+ 223.17808 156.6
[M-H]- 199.18158 153.3
[M+NH4]+ 218.22268 172.0
[M+K]+ 239.15202 156.4
[M+H-H2O]+ 183.18612 146.4
[M+HCOO]- 245.18706 176.4
[M+CH3COO]- 259.20271 196.1
[M+Na-2H]- 221.16353 154.5
[M]+ 200.18831 154.7
[M]- 200.18941 154.7
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.