CID 79153158

1-(3-aminophenyl)-1,3,3-trimethylurea

Structural Information

Molecular Formula
C10H15N3O
SMILES
CN(C)C(=O)N(C)C1=CC=CC(=C1)N
InChI
InChI=1S/C10H15N3O/c1-12(2)10(14)13(3)9-6-4-5-8(11)7-9/h4-7H,11H2,1-3H3
InChIKey
KVRGVFCXVNNRQI-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-1,3,3-trimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 144.1
[M+Na]+ 216.110718 149.9
[M-H]- 192.114224 150.3
[M+NH4]+ 211.155323 163.9
[M+K]+ 232.084658 150.6
[M+H-H2O]+ 176.118760 136.9
[M+HCOO]- 238.119701 171.2
[M+CH3COO]- 252.135351 197.3
[M+Na-2H]- 214.096166 148.0
[M]+ 193.12095142 143.9
[M]- 193.12204858 143.9
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.