CID 58787625

3-[3-(dimethylamino)propyl]-1,3-dimethylurea

Structural Information

Molecular Formula
C8H19N3O
SMILES
CNC(=O)N(C)CCCN(C)C
InChI
InChI=1S/C8H19N3O/c1-9-8(12)11(4)7-5-6-10(2)3/h5-7H2,1-4H3,(H,9,12)
InChIKey
UJXKRSANKLKRLO-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

173.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.16010 143.2
[M+Na]+ 196.14204 147.5
[M-H]- 172.14554 146.1
[M+NH4]+ 191.18664 164.0
[M+K]+ 212.11598 149.9
[M+H-H2O]+ 156.15008 136.6
[M+HCOO]- 218.15102 169.8
[M+CH3COO]- 232.16667 195.5
[M+Na-2H]- 194.12749 146.9
[M]+ 173.15227 145.2
[M]- 173.15337 145.2
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