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

1
Patents

189.06506 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.072336 138.2
[M+Na]+ 212.054278 147.3
[M-H]- 188.057784 138.8
[M+NH4]+ 207.098883 152.9
[M+K]+ 228.028218 143.3
[M+H-H2O]+ 172.062320 128.7
[M+HCOO]- 234.063261 159.9
[M+CH3COO]- 248.078911 150.3
[M+Na-2H]- 210.039726 146.1
[M]+ 189.06451142 136.4
[M]- 189.06560858 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

patents stripe