CID 3074470

1-(2-(5-(4-methoxyphenyl)-2h-tetrazol-2-yl)ethyl)piperidine

Structural Information

Molecular Formula
C15H21N5O
SMILES
COC1=CC=C(C=C1)C2=NN(N=N2)CCN3CCCCC3
InChI
InChI=1S/C15H21N5O/c1-21-14-7-5-13(6-8-14)15-16-18-20(17-15)12-11-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3
InChIKey
QTJKMNIYIBFHDB-UHFFFAOYSA-N
Compound name
1-[2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.181896 169.4
[M+Na]+ 310.163838 175.4
[M-H]- 286.167344 171.5
[M+NH4]+ 305.208443 179.1
[M+K]+ 326.137778 170.7
[M+H-H2O]+ 270.171880 156.8
[M+HCOO]- 332.172821 184.4
[M+CH3COO]- 346.188471 178.2
[M+Na-2H]- 308.149286 171.5
[M]+ 287.17407142 167.2
[M]- 287.17516858 167.2
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.