CID 42962341

3-(3-methoxyphenyl)-2-(5-methyl-1h-1,2,3,4-tetrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CC1=NN=NN1C(CC2=CC(=CC=C2)OC)C(=O)O
InChI
InChI=1S/C12H14N4O3/c1-8-13-14-15-16(8)11(12(17)18)7-9-4-3-5-10(6-9)19-2/h3-6,11H,7H2,1-2H3,(H,17,18)
InChIKey
DWCFCECCPNDJCB-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.113876 158.1
[M+Na]+ 285.095818 166.3
[M-H]- 261.099324 158.8
[M+NH4]+ 280.140423 170.2
[M+K]+ 301.069758 163.6
[M+H-H2O]+ 245.103860 148.5
[M+HCOO]- 307.104801 175.9
[M+CH3COO]- 321.120451 193.9
[M+Na-2H]- 283.081266 160.4
[M]+ 262.10605142 160.5
[M]- 262.10714858 160.5
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.