CID 10241140

De(ethyl)-alvameline

Structural Information

Molecular Formula
C7H11N5
SMILES
CN1CCC=C(C1)C2=NNN=N2
InChI
InChI=1S/C7H11N5/c1-12-4-2-3-6(5-12)7-8-10-11-9-7/h3H,2,4-5H2,1H3,(H,8,9,10,11)
InChIKey
CILLGJGQRHDRLI-UHFFFAOYSA-N
Compound name
1-methyl-5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.10144 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10872 136.1
[M+Na]+ 188.09066 148.2
[M+NH4]+ 183.13526 142.8
[M+K]+ 204.06460 144.6
[M-H]- 164.09416 136.2
[M+Na-2H]- 186.07611 142.7
[M]+ 165.10089 137.5
[M]- 165.10199 137.5
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.