CID 3361369

1-ethyl-3-methyl-1-(o-tolyl)urea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCN(C1=CC=CC=C1C)C(=O)NC
InChI
InChI=1S/C11H16N2O/c1-4-13(11(14)12-3)10-8-6-5-7-9(10)2/h5-8H,4H2,1-3H3,(H,12,14)
InChIKey
HMPWDAVSLOXORS-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-1-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.0
[M+Na]+ 215.11549 150.1
[M-H]- 191.11899 149.1
[M+NH4]+ 210.16009 163.8
[M+K]+ 231.08943 149.5
[M+H-H2O]+ 175.12353 137.3
[M+HCOO]- 237.12447 169.9
[M+CH3COO]- 251.14012 192.4
[M+Na-2H]- 213.10094 148.9
[M]+ 192.12572 144.7
[M]- 192.12682 144.7
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.