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 148.9
[M+Na]+ 257.06451 157.3
[M-H]- 233.06801 149.3
[M+NH4]+ 252.10911 161.8
[M+K]+ 273.03845 154.5
[M+H-H2O]+ 217.07255 139.1
[M+HCOO]- 279.07349 168.3
[M+CH3COO]- 293.08914 185.9
[M+Na-2H]- 255.04996 154.1
[M]+ 234.07474 150.7
[M]- 234.07584 150.7
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.