CID 108961

60526-81-0

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CCCCCCC(C)(C)C1=CC(=CC(=C1)OC)OC

InChI

InChI=1S/C17H28O2/c1-6-7-8-9-10-17(2,3)14-11-15(18-4)13-16(12-14)19-5/h11-13H,6-10H2,1-5H3

InChIKey

MYYOUJBZUGHFNX-UHFFFAOYSA-N

Compound name

1,3-dimethoxy-5-(2-methyloctan-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 264.20892 Da
Monoisotopic Mass: 6.2
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]+	265.216196	166.3
[M+Na]+	287.198138	172.6
[M-H]-	263.201644	169.5
[M+NH4]+	282.242743	183.8
[M+K]+	303.172078	170.3
[M+H-H2O]+	247.206180	160.0
[M+HCOO]-	309.207121	187.1
[M+CH3COO]-	323.222771	202.2
[M+Na-2H]-	285.183586	169.6
[M]+	264.20837142	172.4
[M]-	264.20946858	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe