CID 82468832

2-methoxy-4-(1h-1,2,3,4-tetrazol-5-yl)aniline hydrochloride

Structural Information

Molecular Formula
C8H9N5O
SMILES
COC1=C(C=CC(=C1)C2=NNN=N2)N
InChI
InChI=1S/C8H9N5O/c1-14-7-4-5(2-3-6(7)9)8-10-12-13-11-8/h2-4H,9H2,1H3,(H,10,11,12,13)
InChIKey
ILSYIUFTDAUKSO-UHFFFAOYSA-N
Compound name
2-methoxy-4-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.0807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08798 139.6
[M+Na]+ 214.06992 149.4
[M-H]- 190.07342 140.2
[M+NH4]+ 209.11452 154.4
[M+K]+ 230.04386 145.5
[M+H-H2O]+ 174.07796 130.4
[M+HCOO]- 236.07890 160.6
[M+CH3COO]- 250.09455 151.8
[M+Na-2H]- 212.05537 145.8
[M]+ 191.08015 138.1
[M]- 191.08125 138.1
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