CID 57721978

154171-76-3

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CC1(CCC2(C3C14CCC(C4)C3(C)C)OCCO2)C

InChI

InChI=1S/C17H28O2/c1-14(2)7-8-17(18-9-10-19-17)13-15(3,4)12-5-6-16(13,14)11-12/h12-13H,5-11H2,1-4H3

InChIKey

RTPMDRYHLHGFGT-UHFFFAOYSA-N

Compound name

2',2',8',8'-tetramethylspiro[1,3-dioxolane-2,10'-octahydro-1H-2,4a-methanonapthalene]

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 119
Patents: 264.20892 Da
Monoisotopic Mass: 4.4
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]+	265.216196	161.4
[M+Na]+	287.198138	169.2
[M-H]-	263.201644	168.7
[M+NH4]+	282.242743	190.7
[M+K]+	303.172078	166.8
[M+H-H2O]+	247.206180	158.5
[M+HCOO]-	309.207121	174.8
[M+CH3COO]-	323.222771	173.7
[M+Na-2H]-	285.183586	164.2
[M]+	264.20837142	160.3
[M]-	264.20946858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe