CID 12967958

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

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CC1=NN=NN1C(CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H12N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)
InChIKey
IKDRNMRRAQQCEX-UHFFFAOYSA-N
Compound name
2-(5-methyltetrazol-1-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 151.1
[M+Na]+ 255.08524 162.8
[M+NH4]+ 250.12984 156.4
[M+K]+ 271.05918 160.4
[M-H]- 231.08874 150.7
[M+Na-2H]- 253.07069 157.3
[M]+ 232.09547 152.3
[M]- 232.09657 152.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.