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]+ 195.05127 135.2
[M+Na]+ 217.03321 145.8
[M-H]- 193.03671 137.3
[M+NH4]+ 212.07781 150.5
[M+K]+ 233.00715 145.2
[M+H-H2O]+ 177.04125 126.8
[M+HCOO]- 239.04219 156.9
[M+CH3COO]- 253.05784 177.2
[M+Na-2H]- 215.01866 140.5
[M]+ 194.04344 138.8
[M]- 194.04454 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.