CID 165614591

En300-1817878

Structural Information

Molecular Formula
C7H10N4O3
SMILES
C1COCCC1(C2=NNN=N2)C(=O)O
InChI
InChI=1S/C7H10N4O3/c12-6(13)7(1-3-14-4-2-7)5-8-10-11-9-5/h1-4H2,(H,12,13)(H,8,9,10,11)
InChIKey
TZPUZHQVQOYBSJ-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 140.9
[M+Na]+ 221.06451 147.3
[M-H]- 197.06801 139.9
[M+NH4]+ 216.10911 154.8
[M+K]+ 237.03845 146.4
[M+H-H2O]+ 181.07255 132.3
[M+HCOO]- 243.07349 154.6
[M+CH3COO]- 257.08914 151.4
[M+Na-2H]- 219.04996 146.4
[M]+ 198.07474 136.3
[M]- 198.07584 136.3
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

No patent data available for this compound.