CID 543616

13616-37-0

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CCOC(=O)CC1=NNN=N1
InChI
InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey
NAOHMNNTUFFTBF-UHFFFAOYSA-N
Compound name
ethyl 2-(2H-tetrazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

347
Patents

156.06473 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 131.3
[M+Na]+ 179.05395 140.0
[M-H]- 155.05745 128.4
[M+NH4]+ 174.09855 147.8
[M+K]+ 195.02789 138.9
[M+H-H2O]+ 139.06199 123.0
[M+HCOO]- 201.06293 150.7
[M+CH3COO]- 215.07858 171.4
[M+Na-2H]- 177.03940 137.3
[M]+ 156.06418 132.0
[M]- 156.06528 132.0
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