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

473
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 139.8
[M+Na]+ 199.10531 144.0
[M-H]- 175.10881 136.9
[M+NH4]+ 194.14991 157.9
[M+K]+ 215.07925 142.9
[M+H-H2O]+ 159.11335 134.1
[M+HCOO]- 221.11429 162.2
[M+CH3COO]- 235.12994 179.6
[M+Na-2H]- 197.09076 144.4
[M]+ 176.11554 138.7
[M]- 176.11664 138.7
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