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

17
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

literature stripe

Patent stripe

patents stripe