CID 87036

2,5-dimethylphenethylurea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=CC(=C(C=C1)C)CCNC(=O)N
InChI
InChI=1S/C11H16N2O/c1-8-3-4-9(2)10(7-8)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)
InChIKey
IGDQWXCMSOONEI-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.2
[M+Na]+ 215.11549 154.9
[M+NH4]+ 210.16009 151.9
[M+K]+ 231.08943 148.9
[M-H]- 191.11899 146.9
[M+Na-2H]- 213.10094 149.9
[M]+ 192.12572 146.2
[M]- 192.12682 146.2
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

No patent data available for this compound.