CID 23549

7160-01-2

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC1=CC=C(C=C1)NC(=O)N(C)C
InChI
InChI=1S/C10H14N2O/c1-8-4-6-9(7-5-8)11-10(13)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKey
QTERLAXNZRFFMZ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

737
Patents

178.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.3
[M+Na]+ 201.09983 145.8
[M-H]- 177.10333 144.6
[M+NH4]+ 196.14443 159.7
[M+K]+ 217.07377 145.4
[M+H-H2O]+ 161.10787 132.8
[M+HCOO]- 223.10881 165.6
[M+CH3COO]- 237.12446 189.4
[M+Na-2H]- 199.08528 144.8
[M]+ 178.11006 139.6
[M]- 178.11116 139.6
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