CID 212832

25060-43-9

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CC1=CC=CC=C1N(C(=O)N)C(=O)N
InChI
InChI=1S/C9H11N3O2/c1-6-4-2-3-5-7(6)12(8(10)13)9(11)14/h2-5H,1H3,(H2,10,13)(H2,11,14)
InChIKey
UCKFFYHCEHUHBC-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 141.8
[M+Na]+ 216.074348 147.8
[M-H]- 192.077854 146.3
[M+NH4]+ 211.118953 160.4
[M+K]+ 232.048288 147.5
[M+H-H2O]+ 176.082390 134.9
[M+HCOO]- 238.083331 167.5
[M+CH3COO]- 252.098981 192.5
[M+Na-2H]- 214.059796 144.7
[M]+ 193.08458142 139.0
[M]- 193.08567858 139.0
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.