CID 21467107

1-(3-aminophenyl)-3-methylurea

Structural Information

Molecular Formula
C8H11N3O
SMILES
CNC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C8H11N3O/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKey
NJATWJUOMHPPHK-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

165.09021 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.097486 134.0
[M+Na]+ 188.079428 140.4
[M-H]- 164.082934 137.6
[M+NH4]+ 183.124033 153.6
[M+K]+ 204.053368 138.7
[M+H-H2O]+ 148.087470 127.5
[M+HCOO]- 210.088411 160.8
[M+CH3COO]- 224.104061 184.4
[M+Na-2H]- 186.064876 140.5
[M]+ 165.08966142 130.6
[M]- 165.09075858 130.6
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

patents stripe