CID 9820835

De(methyl)-alvameline

Structural Information

Molecular Formula
C8H13N5
SMILES
CCN1N=C(N=N1)C2=CCCNC2
InChI
InChI=1S/C8H13N5/c1-2-13-11-8(10-12-13)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3
InChIKey
KWCDFRUNFDIIQT-UHFFFAOYSA-N
Compound name
5-(2-ethyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

179.1171 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.12438 141.3
[M+Na]+ 202.10632 149.0
[M-H]- 178.10982 139.6
[M+NH4]+ 197.15092 155.3
[M+K]+ 218.08026 145.5
[M+H-H2O]+ 162.11436 131.1
[M+HCOO]- 224.11530 157.2
[M+CH3COO]- 238.13095 152.0
[M+Na-2H]- 200.09177 146.1
[M]+ 179.11655 137.2
[M]- 179.11765 137.2
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.