CID 4913144

3-methoxy-5-(1h-tetrazol-1-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
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 139.0
[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

No literature data available for this compound.

Patent stripe

patents stripe