CID 101519

Myomontanone

Structural Information

Molecular Formula

C₁₅H₂₀O₂

SMILES

C[C@H]1CC(=C(C1)C(=O)C2=COC=C2)CC(C)C

InChI

InChI=1S/C15H20O2/c1-10(2)6-13-7-11(3)8-14(13)15(16)12-4-5-17-9-12/h4-5,9-11H,6-8H2,1-3H3/t11-/m0/s1

InChIKey

ROMXQUBLTVIACV-NSHDSACASA-N

Compound name

furan-3-yl-[(4S)-4-methyl-2-(2-methylpropyl)cyclopenten-1-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.14633 Da
Monoisotopic Mass: 3.4
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]+	233.153606	156.4
[M+Na]+	255.135548	162.9
[M-H]-	231.139054	163.9
[M+NH4]+	250.180153	176.6
[M+K]+	271.109488	161.8
[M+H-H2O]+	215.143590	151.1
[M+HCOO]-	277.144531	178.2
[M+CH3COO]-	291.160181	192.8
[M+Na-2H]-	253.120996	155.2
[M]+	232.14578142	158.3
[M]-	232.14687858	158.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.