CID 822287

436091-66-6

Structural Information

Molecular Formula
C9H8N4O3
SMILES
C1=CC(=CC=C1C2=NNN=N2)OCC(=O)O
InChI
InChI=1S/C9H8N4O3/c14-8(15)5-16-7-3-1-6(2-4-7)9-10-12-13-11-9/h1-4H,5H2,(H,14,15)(H,10,11,12,13)
InChIKey
XUUQYDIKEDGMQC-UHFFFAOYSA-N
Compound name
2-[4-(2H-tetrazol-5-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.05965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06693 145.0
[M+Na]+ 243.04887 153.4
[M-H]- 219.05237 144.3
[M+NH4]+ 238.09347 157.8
[M+K]+ 259.02281 150.1
[M+H-H2O]+ 203.05691 135.8
[M+HCOO]- 265.05785 163.3
[M+CH3COO]- 279.07350 180.5
[M+Na-2H]- 241.03432 150.3
[M]+ 220.05910 144.7
[M]- 220.06020 144.7
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

patents stripe