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]+ 217.191056 155.9
[M+Na]+ 239.172998 159.2
[M-H]- 215.176504 155.3
[M+NH4]+ 234.217603 173.9
[M+K]+ 255.146938 158.9
[M+H-H2O]+ 199.181040 149.4
[M+HCOO]- 261.181981 178.8
[M+CH3COO]- 275.197631 195.5
[M+Na-2H]- 237.158446 158.1
[M]+ 216.18323142 158.1
[M]- 216.18432858 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.