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]+ 288.18190 169.4
[M+Na]+ 310.16384 175.4
[M-H]- 286.16734 171.5
[M+NH4]+ 305.20844 179.1
[M+K]+ 326.13778 170.7
[M+H-H2O]+ 270.17188 156.8
[M+HCOO]- 332.17282 184.4
[M+CH3COO]- 346.18847 178.2
[M+Na-2H]- 308.14929 171.5
[M]+ 287.17407 167.2
[M]- 287.17517 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.