CID 61297867

1-(3-aminophenyl)-1-methylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.09021 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.7
[M+Na]+ 188.07943 141.1
[M-H]- 164.08293 139.2
[M+NH4]+ 183.12403 154.6
[M+K]+ 204.05337 140.5
[M+H-H2O]+ 148.08747 128.0
[M+HCOO]- 210.08841 161.3
[M+CH3COO]- 224.10406 187.8
[M+Na-2H]- 186.06488 139.4
[M]+ 165.08966 131.6
[M]- 165.09076 131.6
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