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]+ 263.11388 158.1
[M+Na]+ 285.09582 166.3
[M-H]- 261.09932 158.8
[M+NH4]+ 280.14042 170.2
[M+K]+ 301.06976 163.6
[M+H-H2O]+ 245.10386 148.5
[M+HCOO]- 307.10480 175.9
[M+CH3COO]- 321.12045 193.9
[M+Na-2H]- 283.08127 160.4
[M]+ 262.10605 160.5
[M]- 262.10715 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.