CID 127578321

1-butyl-3-(3-hydroxypropyl)-1-propylurea

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CCCCN(CCC)C(=O)NCCCO
InChI
InChI=1S/C11H24N2O2/c1-3-5-9-13(8-4-2)11(15)12-7-6-10-14/h14H,3-10H2,1-2H3,(H,12,15)
InChIKey
QRJZNGNMEQCVAU-UHFFFAOYSA-N
Compound name
1-butyl-3-(3-hydroxypropyl)-1-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19106 155.9
[M+Na]+ 239.17300 159.2
[M-H]- 215.17650 155.3
[M+NH4]+ 234.21760 173.9
[M+K]+ 255.14694 158.9
[M+H-H2O]+ 199.18104 149.4
[M+HCOO]- 261.18198 178.8
[M+CH3COO]- 275.19763 195.5
[M+Na-2H]- 237.15845 158.1
[M]+ 216.18323 158.1
[M]- 216.18433 158.1
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.