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
2
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]+ 166.108716 137.0
[M+Na]+ 188.090658 145.2
[M-H]- 164.094164 135.4
[M+NH4]+ 183.135263 151.5
[M+K]+ 204.064598 141.9
[M+H-H2O]+ 148.098700 127.0
[M+HCOO]- 210.099641 153.2
[M+CH3COO]- 224.115291 148.1
[M+Na-2H]- 186.076106 142.4
[M]+ 165.10089142 132.6
[M]- 165.10198858 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.