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]+ 231.08765 150.4
[M+Na]+ 253.06959 158.7
[M-H]- 229.07309 150.9
[M+NH4]+ 248.11419 163.6
[M+K]+ 269.04353 155.0
[M+H-H2O]+ 213.07763 140.9
[M+HCOO]- 275.07857 168.5
[M+CH3COO]- 289.09422 186.2
[M+Na-2H]- 251.05504 153.9
[M]+ 230.07982 149.9
[M]- 230.08092 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.