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

67
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 139.1
[M+Na]+ 214.069918 149.3
[M-H]- 190.073424 141.0
[M+NH4]+ 209.114523 154.6
[M+K]+ 230.043858 146.3
[M+H-H2O]+ 174.077960 129.6
[M+HCOO]- 236.078901 161.5
[M+CH3COO]- 250.094551 151.9
[M+Na-2H]- 212.055366 145.7
[M]+ 191.08015142 139.4
[M]- 191.08124858 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

No literature data available for this compound.

Patent stripe

patents stripe