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]+ 235.082566 148.9
[M+Na]+ 257.064508 157.3
[M-H]- 233.068014 149.3
[M+NH4]+ 252.109113 161.8
[M+K]+ 273.038448 154.5
[M+H-H2O]+ 217.072550 139.1
[M+HCOO]- 279.073491 168.3
[M+CH3COO]- 293.089141 185.9
[M+Na-2H]- 255.049956 154.1
[M]+ 234.07474142 150.7
[M]- 234.07583858 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.