CID 218525

Urea, 1-(4-heptyl)-3-methyl-

Structural Information

Molecular Formula
C9H20N2O
SMILES
CCCC(CCC)NC(=O)NC
InChI
InChI=1S/C9H20N2O/c1-4-6-8(7-5-2)11-9(12)10-3/h8H,4-7H2,1-3H3,(H2,10,11,12)
InChIKey
GPPQBUWPSSTQRJ-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.16484 142.9
[M+Na]+ 195.14678 150.2
[M+NH4]+ 190.19138 149.6
[M+K]+ 211.12072 145.3
[M-H]- 171.15028 142.6
[M+Na-2H]- 193.13223 145.2
[M]+ 172.15701 143.4
[M]- 172.15811 143.4
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

No patent data available for this compound.