CID 10038462

678981-31-2

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CC1CC(=CCC12CCCC(C2OC(=O)C)(C)C)C

InChI

InChI=1S/C17H28O2/c1-12-7-10-17(13(2)11-12)9-6-8-16(4,5)15(17)19-14(3)18/h7,13,15H,6,8-11H2,1-5H3

InChIKey

OOEDQCLPDCXMMC-UHFFFAOYSA-N

Compound name

(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 280
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	162.6
[M+Na]+	287.198138	168.4
[M-H]-	263.201644	167.8
[M+NH4]+	282.242743	184.1
[M+K]+	303.172078	166.3
[M+H-H2O]+	247.206180	157.3
[M+HCOO]-	309.207121	178.4
[M+CH3COO]-	323.222771	199.3
[M+Na-2H]-	285.183586	164.0
[M]+	264.20837142	159.8
[M]-	264.20946858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe