CID 18006547

(2-amino-6-hydroxyphenyl)urea

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1=CC(=C(C(=C1)O)NC(=O)N)N
InChI
InChI=1S/C7H9N3O2/c8-4-2-1-3-5(11)6(4)10-7(9)12/h1-3,11H,8H2,(H3,9,10,12)
InChIKey
RMFGWLPGWZGXON-UHFFFAOYSA-N
Compound name
(2-amino-6-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

167.06947 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 132.9
[M+Na]+ 190.05869 140.0
[M-H]- 166.06219 135.0
[M+NH4]+ 185.10329 151.5
[M+K]+ 206.03263 137.9
[M+H-H2O]+ 150.06673 126.8
[M+HCOO]- 212.06767 158.0
[M+CH3COO]- 226.08332 182.6
[M+Na-2H]- 188.04414 137.6
[M]+ 167.06892 128.1
[M]- 167.07002 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe