CID 28819066

36855-12-6

Structural Information

Molecular Formula
C7H6N4O3
SMILES
C1=COC(=C1)C2=NN(N=N2)CC(=O)O
InChI
InChI=1S/C7H6N4O3/c12-6(13)4-11-9-7(8-10-11)5-2-1-3-14-5/h1-3H,4H2,(H,12,13)
InChIKey
UFBBQMVELHQQJM-UHFFFAOYSA-N
Compound name
2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.04399 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.051266 135.2
[M+Na]+ 217.033208 145.8
[M-H]- 193.036714 137.3
[M+NH4]+ 212.077813 150.5
[M+K]+ 233.007148 145.2
[M+H-H2O]+ 177.041250 126.8
[M+HCOO]- 239.042191 156.9
[M+CH3COO]- 253.057841 177.2
[M+Na-2H]- 215.018656 140.5
[M]+ 194.04344142 138.8
[M]- 194.04453858 138.8
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.