CID 15007241

Ethyl 4-(1h-1,2,3,4-tetrazol-5-yl)benzoate

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=NNN=N2
InChI
InChI=1S/C10H10N4O2/c1-2-16-10(15)8-5-3-7(4-6-8)9-11-13-14-12-9/h3-6H,2H2,1H3,(H,11,12,13,14)
InChIKey
FCSYWEHPHHOKOU-UHFFFAOYSA-N
Compound name
ethyl 4-(2H-tetrazol-5-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

218.08037 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 146.8
[M+Na]+ 241.06959 155.5
[M-H]- 217.07309 147.3
[M+NH4]+ 236.11419 160.6
[M+K]+ 257.04353 152.2
[M+H-H2O]+ 201.07763 137.3
[M+HCOO]- 263.07857 166.0
[M+CH3COO]- 277.09422 183.1
[M+Na-2H]- 239.05504 151.9
[M]+ 218.07982 147.2
[M]- 218.08092 147.2
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