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]+ 194.09241 141.8
[M+Na]+ 216.07435 147.8
[M-H]- 192.07785 146.3
[M+NH4]+ 211.11895 160.4
[M+K]+ 232.04829 147.5
[M+H-H2O]+ 176.08239 134.9
[M+HCOO]- 238.08333 167.5
[M+CH3COO]- 252.09898 192.5
[M+Na-2H]- 214.05980 144.7
[M]+ 193.08458 139.0
[M]- 193.08568 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.