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]+ 192.087976 139.6
[M+Na]+ 214.069918 149.4
[M-H]- 190.073424 140.2
[M+NH4]+ 209.114523 154.4
[M+K]+ 230.043858 145.5
[M+H-H2O]+ 174.077960 130.4
[M+HCOO]- 236.078901 160.6
[M+CH3COO]- 250.094551 151.8
[M+Na-2H]- 212.055366 145.8
[M]+ 191.08015142 138.1
[M]- 191.08124858 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