CID 178030

Alvameline

Structural Information

Molecular Formula
C9H15N5
SMILES
CCN1N=C(N=N1)C2=CCCN(C2)C
InChI
InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3
InChIKey
RNMOMKCRCIRYCZ-UHFFFAOYSA-N
Compound name
5-(2-ethyltetrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

553
Patents

193.13275 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.140026 145.5
[M+Na]+ 216.121968 154.2
[M-H]- 192.125474 145.4
[M+NH4]+ 211.166573 160.0
[M+K]+ 232.095908 151.2
[M+H-H2O]+ 176.130010 135.2
[M+HCOO]- 238.130951 162.6
[M+CH3COO]- 252.146601 156.8
[M+Na-2H]- 214.107416 149.5
[M]+ 193.13220142 144.0
[M]- 193.13329858 144.0
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