CID 54592742

575474-47-4

Structural Information

Molecular Formula
C8H9N5O
SMILES
C1=CC(=CC=C1N)OCC2=NNN=N2
InChI
InChI=1S/C8H9N5O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5,9H2,(H,10,11,12,13)
InChIKey
YAVHXIHLIWRSMC-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.0807 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 138.6
[M+Na]+ 214.06992 147.3
[M-H]- 190.07342 138.7
[M+NH4]+ 209.11452 153.0
[M+K]+ 230.04386 143.6
[M+H-H2O]+ 174.07796 129.0
[M+HCOO]- 236.07890 159.5
[M+CH3COO]- 250.09455 150.4
[M+Na-2H]- 212.05537 145.6
[M]+ 191.08015 136.6
[M]- 191.08125 136.6
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

patents stripe