CID 855523

158553-38-9

Structural Information

Molecular Formula
C14H18N6O2
SMILES
C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H18N6O2/c21-20(22)13-6-4-12(5-7-13)14-15-17-19(16-14)11-10-18-8-2-1-3-9-18/h4-7H,1-3,8-11H2
InChIKey
RCJZNRNDFJKGSV-UHFFFAOYSA-N
Compound name
1-[2-[5-(4-nitrophenyl)tetrazol-2-yl]ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1491 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15638 169.0
[M+Na]+ 325.13832 173.4
[M-H]- 301.14182 171.7
[M+NH4]+ 320.18292 177.1
[M+K]+ 341.11226 164.9
[M+H-H2O]+ 285.14636 160.9
[M+HCOO]- 347.14730 185.3
[M+CH3COO]- 361.16295 196.9
[M+Na-2H]- 323.12377 174.5
[M]+ 302.14855 163.4
[M]- 302.14965 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.