CID 7020281

96107-94-7

Structural Information

Molecular Formula
C4H6N4O2
SMILES
CCOC(=O)C1=NNN=N1
InChI
InChI=1S/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h2H2,1H3,(H,5,6,7,8)
InChIKey
JBEHAOGLPHSQSL-UHFFFAOYSA-N
Compound name
ethyl 2H-tetrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

658
Patents

142.04907 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.05635 126.9
[M+Na]+ 165.03829 135.9
[M-H]- 141.04179 124.1
[M+NH4]+ 160.08289 143.9
[M+K]+ 181.01223 135.2
[M+H-H2O]+ 125.04633 118.7
[M+HCOO]- 187.04727 146.6
[M+CH3COO]- 201.06292 168.4
[M+Na-2H]- 163.02374 133.3
[M]+ 142.04852 127.2
[M]- 142.04962 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe