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

literature stripe

Patent stripe

patents stripe