CID 22311450

N~1~-hydroxybenzene-1,2-diamine

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1=CC=C(C(=C1)N)NO
InChI
InChI=1S/C6H8N2O/c7-5-3-1-2-4-6(5)8-9/h1-4,8-9H,7H2
InChIKey
ZQCANTYUTNGZOZ-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

124.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 121.5
[M+Na]+ 147.052878 129.0
[M-H]- 123.056384 123.9
[M+NH4]+ 142.097483 142.4
[M+K]+ 163.026818 127.0
[M+H-H2O]+ 107.060920 116.1
[M+HCOO]- 169.061861 147.2
[M+CH3COO]- 183.077511 171.9
[M+Na-2H]- 145.038326 129.7
[M]+ 124.06311142 117.8
[M]- 124.06420858 117.8
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