CID 28064155

4-(1h-tetrazol-5-yloxy)aniline

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CC(=CC=C1N)OC2=NNN=N2
InChI
InChI=1S/C7H7N5O/c8-5-1-3-6(4-2-5)13-7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChIKey
KYRUSFOAGBAPGT-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

177.06506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 134.2
[M+Na]+ 200.05428 143.5
[M-H]- 176.05778 134.5
[M+NH4]+ 195.09888 149.2
[M+K]+ 216.02822 139.9
[M+H-H2O]+ 160.06232 124.9
[M+HCOO]- 222.06326 155.5
[M+CH3COO]- 236.07891 146.5
[M+Na-2H]- 198.03973 141.7
[M]+ 177.06451 131.9
[M]- 177.06561 131.9
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