CID 11658371

1,3-bis(3-hydroxypropyl)urea

Structural Information

Molecular Formula
C7H16N2O3
SMILES
C(CNC(=O)NCCCO)CO
InChI
InChI=1S/C7H16N2O3/c10-5-1-3-8-7(12)9-4-2-6-11/h10-11H,1-6H2,(H2,8,9,12)
InChIKey
HUEPEXWUAVEESY-UHFFFAOYSA-N
Compound name
1,3-bis(3-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

468
Patents

176.11609 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12337 139.7
[M+Na]+ 199.10531 145.6
[M+NH4]+ 194.14991 144.9
[M+K]+ 215.07925 142.2
[M-H]- 175.10881 137.5
[M+Na-2H]- 197.09076 140.7
[M]+ 176.11554 139.2
[M]- 176.11664 139.2
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