CID 778173

3-methoxy-4-tetrazol-1-yl-phenylamine

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 139.0
[M+Na]+ 214.06992 151.9
[M+NH4]+ 209.11452 145.7
[M+K]+ 230.04386 148.6
[M-H]- 190.07342 140.6
[M+Na-2H]- 212.05537 146.9
[M]+ 191.08015 141.0
[M]- 191.08125 141.0
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.