CID 56766349

2-[5-(phenoxymethyl)-1h-1,2,3,4-tetrazol-1-yl]acetic acid

Structural Information

Molecular Formula
C10H10N4O3
SMILES
C1=CC=C(C=C1)OCC2=NN=NN2CC(=O)O
InChI
InChI=1S/C10H10N4O3/c15-10(16)6-14-9(11-12-13-14)7-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey
HQGWPIDPXLUIDN-UHFFFAOYSA-N
Compound name
2-[5-(phenoxymethyl)tetrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.07529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 150.3
[M+Na]+ 257.06451 162.0
[M+NH4]+ 252.10911 155.3
[M+K]+ 273.03845 159.6
[M-H]- 233.06801 149.6
[M+Na-2H]- 255.04996 156.6
[M]+ 234.07474 151.4
[M]- 234.07584 151.4
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

No patent data available for this compound.