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]+ 192.087976 138.6
[M+Na]+ 214.069918 147.3
[M-H]- 190.073424 138.7
[M+NH4]+ 209.114523 153.0
[M+K]+ 230.043858 143.6
[M+H-H2O]+ 174.077960 129.0
[M+HCOO]- 236.078901 159.5
[M+CH3COO]- 250.094551 150.4
[M+Na-2H]- 212.055366 145.6
[M]+ 191.08015142 136.6
[M]- 191.08124858 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