CID 55287953

3-(3-hydroxypropyl)-1,3-dimethylurea

Structural Information

Molecular Formula
C6H14N2O2
SMILES
CNC(=O)N(C)CCCO
InChI
InChI=1S/C6H14N2O2/c1-7-6(10)8(2)4-3-5-9/h9H,3-5H2,1-2H3,(H,7,10)
InChIKey
QEDPOBBPBCBZNF-UHFFFAOYSA-N
Compound name
1-(3-hydroxypropyl)-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

146.10553 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11281 133.0
[M+Na]+ 169.09475 138.4
[M-H]- 145.09825 133.4
[M+NH4]+ 164.13935 153.8
[M+K]+ 185.06869 139.4
[M+H-H2O]+ 129.10279 127.5
[M+HCOO]- 191.10373 157.5
[M+CH3COO]- 205.11938 180.3
[M+Na-2H]- 167.08020 137.8
[M]+ 146.10498 133.3
[M]- 146.10608 133.3
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

patents stripe