CID 110701

Einecs 227-240-0

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(CCC2C1(OC(=O)C2)C)C

InChI

InChI=1S/C10H16O2/c1-9(2)5-4-7-6-8(11)12-10(7,9)3/h7H,4-6H2,1-3H3

InChIKey

RZQMMUGEFLGWFB-UHFFFAOYSA-N

Compound name

6,6,6a-trimethyl-3,3a,4,5-tetrahydrocyclopenta[b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
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]+	169.122316	134.1
[M+Na]+	191.104258	143.4
[M-H]-	167.107764	139.6
[M+NH4]+	186.148863	162.2
[M+K]+	207.078198	142.6
[M+H-H2O]+	151.112300	131.8
[M+HCOO]-	213.113241	155.0
[M+CH3COO]-	227.128891	178.0
[M+Na-2H]-	189.089706	139.4
[M]+	168.11449142	134.5
[M]-	168.11558858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.