CID 778173

3-methoxy-4-(1h-1,2,3,4-tetrazol-1-yl)aniline

Structural Information

Molecular Formula
C8H9N5O
SMILES
COC1=C(C=CC(=C1)N)N2C=NN=N2
InChI
InChI=1S/C8H9N5O/c1-14-8-4-6(9)2-3-7(8)13-5-10-11-12-13/h2-5H,9H2,1H3
InChIKey
TUPYLXVIGMMVPZ-UHFFFAOYSA-N
Compound name
3-methoxy-4-(tetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.0807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 139.1
[M+Na]+ 214.06992 149.3
[M-H]- 190.07342 141.0
[M+NH4]+ 209.11452 154.6
[M+K]+ 230.04386 146.3
[M+H-H2O]+ 174.07796 129.6
[M+HCOO]- 236.07890 161.5
[M+CH3COO]- 250.09455 151.9
[M+Na-2H]- 212.05537 145.7
[M]+ 191.08015 139.4
[M]- 191.08125 139.4
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.