CID 135412964

3-hydroxy-3-methyl-1-phenyltriazene

Structural Information

Molecular Formula
C7H9N3O
SMILES
C/[N+](=N\NC1=CC=CC=C1)/[O-]
InChI
InChI=1S/C7H9N3O/c1-10(11)9-8-7-5-3-2-4-6-7/h2-6,8H,1H3/b10-9+
InChIKey
BBPRZFGVCBRWII-MDZDMXLPSA-N
Compound name
(E)-methyl-oxido-(phenylhydrazinylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

151.07455 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 127.0
[M+Na]+ 174.06377 132.9
[M-H]- 150.06727 132.0
[M+NH4]+ 169.10837 147.3
[M+K]+ 190.03771 128.1
[M+H-H2O]+ 134.07181 125.1
[M+HCOO]- 196.07275 156.7
[M+CH3COO]- 210.08840 176.2
[M+Na-2H]- 172.04922 138.0
[M]+ 151.07400 124.0
[M]- 151.07510 124.0
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.