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

6
Patents

146.10553 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.112806 133.0
[M+Na]+ 169.094748 138.4
[M-H]- 145.098254 133.4
[M+NH4]+ 164.139353 153.8
[M+K]+ 185.068688 139.4
[M+H-H2O]+ 129.102790 127.5
[M+HCOO]- 191.103731 157.5
[M+CH3COO]- 205.119381 180.3
[M+Na-2H]- 167.080196 137.8
[M]+ 146.10498142 133.3
[M]- 146.10607858 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