CID 3074479

158553-44-7

Structural Information

Molecular Formula
C14H20N6
SMILES
C1CCN(CC1)CCN2N=C(N=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H20N6/c15-13-6-4-12(5-7-13)14-16-18-20(17-14)11-10-19-8-2-1-3-9-19/h4-7H,1-3,8-11,15H2
InChIKey
BYSXQUWRZJLWPH-UHFFFAOYSA-N
Compound name
4-[2-(2-piperidin-1-ylethyl)tetrazol-5-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.17496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18224 165.1
[M+Na]+ 295.16418 171.0
[M-H]- 271.16768 167.1
[M+NH4]+ 290.20878 175.1
[M+K]+ 311.13812 165.5
[M+H-H2O]+ 255.17222 152.8
[M+HCOO]- 317.17316 180.9
[M+CH3COO]- 331.18881 173.9
[M+Na-2H]- 293.14963 167.7
[M]+ 272.17441 159.8
[M]- 272.17551 159.8
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.