CID 4337438

129587-41-3

Structural Information

Molecular Formula
C8H7N5O
SMILES
C1=CC=C(C(=C1)C=NC2=NNN=N2)O
InChI
InChI=1S/C8H7N5O/c14-7-4-2-1-3-6(7)5-9-8-10-12-13-11-8/h1-5,14H,(H,10,11,12,13)
InChIKey
IULCJGXJOXWRNF-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06506 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07234 138.2
[M+Na]+ 212.05428 147.3
[M-H]- 188.05778 138.8
[M+NH4]+ 207.09888 152.9
[M+K]+ 228.02822 143.3
[M+H-H2O]+ 172.06232 128.7
[M+HCOO]- 234.06326 159.9
[M+CH3COO]- 248.07891 150.3
[M+Na-2H]- 210.03973 146.1
[M]+ 189.06451 136.4
[M]- 189.06561 136.4
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

No patent data available for this compound.