CID 185668

3-(3,4-dimethylphenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)C)C
InChI
InChI=1S/C11H16N2O/c1-8-5-6-10(7-9(8)2)12-11(14)13(3)4/h5-7H,1-4H3,(H,12,14)
InChIKey
WHCJHUNXJNPVFA-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

430
Patents

192.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 144.2
[M+Na]+ 215.11549 155.4
[M+NH4]+ 210.16009 152.3
[M+K]+ 231.08943 149.7
[M-H]- 191.11899 147.5
[M+Na-2H]- 213.10094 150.6
[M]+ 192.12572 146.5
[M]- 192.12682 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe