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 137.0
[M+Na]+ 188.09066 145.2
[M-H]- 164.09416 135.4
[M+NH4]+ 183.13526 151.5
[M+K]+ 204.06460 141.9
[M+H-H2O]+ 148.09870 127.0
[M+HCOO]- 210.09964 153.2
[M+CH3COO]- 224.11529 148.1
[M+Na-2H]- 186.07611 142.4
[M]+ 165.10089 132.6
[M]- 165.10199 132.6
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.