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
2
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]+ 180.124376 141.3
[M+Na]+ 202.106318 149.0
[M-H]- 178.109824 139.6
[M+NH4]+ 197.150923 155.3
[M+K]+ 218.080258 145.5
[M+H-H2O]+ 162.114360 131.1
[M+HCOO]- 224.115301 157.2
[M+CH3COO]- 238.130951 152.0
[M+Na-2H]- 200.091766 146.1
[M]+ 179.11655142 137.2
[M]- 179.11764858 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