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 151.6
[M+Na]+ 255.08524 163.7
[M+NH4]+ 250.12984 157.1
[M+K]+ 271.05918 160.4
[M-H]- 231.08874 151.4
[M+Na-2H]- 253.07069 158.1
[M]+ 232.09547 152.9
[M]- 232.09657 152.9
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

patents stripe