CID 12021775

4-(5-phenyl-2h-1,2,3,4-tetrazol-2-yl)butanoic acid

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC=C(C=C1)C2=NN(N=N2)CCCC(=O)O
InChI
InChI=1S/C11H12N4O2/c16-10(17)7-4-8-15-13-11(12-14-15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17)
InChIKey
WSRYMQSWEWOMRO-UHFFFAOYSA-N
Compound name
4-(5-phenyltetrazol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.103296 150.9
[M+Na]+ 255.085238 159.0
[M-H]- 231.088744 151.1
[M+NH4]+ 250.129843 164.0
[M+K]+ 271.059178 155.5
[M+H-H2O]+ 215.093280 141.1
[M+HCOO]- 277.094221 169.8
[M+CH3COO]- 291.109871 186.7
[M+Na-2H]- 253.070686 155.5
[M]+ 232.09547142 151.7
[M]- 232.09656858 151.7
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

patents stripe