CID 433955

Myrtine

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC1CC(=O)CC2N1CCCC2

InChI

InChI=1S/C10H17NO/c1-8-6-10(12)7-9-4-2-3-5-11(8)9/h8-9H,2-7H2,1H3

InChIKey

GDQCWCOVKFXWMP-UHFFFAOYSA-N

Compound name

4-methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 99
Patents: 167.13101 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.13829	137.3
[M+Na]+	190.12023	142.7
[M-H]-	166.12373	139.3
[M+NH4]+	185.16483	157.5
[M+K]+	206.09417	140.6
[M+H-H2O]+	150.12827	130.8
[M+HCOO]-	212.12921	153.2
[M+CH3COO]-	226.14486	179.6
[M+Na-2H]-	188.10568	141.7
[M]+	167.13046	131.1
[M]-	167.13156	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe