CID 128792

4-diazo-3-methoxy-2,5-cyclohexadien-1-one

Structural Information

Molecular Formula
C7H7N2O2
SMILES
COC1=C(C=CC(=C1)O)[N+]#N
InChI
InChI=1S/C7H6N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4H,1H3/p+1
InChIKey
JGURBIRPPYXGNF-UHFFFAOYSA-O
Compound name
4-hydroxy-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

151.05075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05803 130.4
[M+Na]+ 174.03997 141.2
[M-H]- 150.04347 134.6
[M+NH4]+ 169.08457 149.2
[M+K]+ 190.01391 135.0
[M+H-H2O]+ 134.04801 120.9
[M+HCOO]- 196.04895 152.8
[M+CH3COO]- 210.06460 184.2
[M+Na-2H]- 172.02542 139.7
[M]+ 151.05020 126.0
[M]- 151.05130 126.0
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.