CID 7363984

1738-50-7

Structural Information

Molecular Formula
C11H10N4O2
SMILES
CC1=NN=NN1/C(=C\C2=CC=CC=C2)/C(=O)O
InChI
InChI=1S/C11H10N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)/b10-7-
InChIKey
PTBNDKSHTBGKBT-YFHOEESVSA-N
Compound name
(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.087646 150.4
[M+Na]+ 253.069588 158.7
[M-H]- 229.073094 150.9
[M+NH4]+ 248.114193 163.6
[M+K]+ 269.043528 155.0
[M+H-H2O]+ 213.077630 140.9
[M+HCOO]- 275.078571 168.5
[M+CH3COO]- 289.094221 186.2
[M+Na-2H]- 251.055036 153.9
[M]+ 230.07982142 149.9
[M]- 230.08091858 149.9
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.