CID 16227835

929972-63-4

Structural Information

Molecular Formula
C12H12N4O3
SMILES
CC1=NN=NN1/C(=C/C2=CC(=CC=C2)OC)/C(=O)O
InChI
InChI=1S/C12H12N4O3/c1-8-13-14-15-16(8)11(12(17)18)7-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,17,18)/b11-7+
InChIKey
HAAJRTJVJZERNE-YRNVUSSQSA-N
Compound name
(E)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09094 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 157.5
[M+Na]+ 283.08016 166.1
[M-H]- 259.08366 158.3
[M+NH4]+ 278.12476 169.7
[M+K]+ 299.05410 162.8
[M+H-H2O]+ 243.08820 148.1
[M+HCOO]- 305.08914 175.5
[M+CH3COO]- 319.10479 192.4
[M+Na-2H]- 281.06561 159.8
[M]+ 260.09039 159.1
[M]- 260.09149 159.1
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.