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]+ 233.10330 150.9
[M+Na]+ 255.08524 159.0
[M-H]- 231.08874 151.1
[M+NH4]+ 250.12984 164.0
[M+K]+ 271.05918 155.5
[M+H-H2O]+ 215.09328 141.1
[M+HCOO]- 277.09422 169.8
[M+CH3COO]- 291.10987 186.7
[M+Na-2H]- 253.07069 155.5
[M]+ 232.09547 151.7
[M]- 232.09657 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