CID 106762

2h-pyran-2-one, tetrahydro-6,6-dimethyl-3-(1-methylethyl)-

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C1CCC(OC1=O)(C)C
InChI
InChI=1S/C10H18O2/c1-7(2)8-5-6-10(3,4)12-9(8)11/h7-8H,5-6H2,1-4H3
InChIKey
FWUVBKJRLSFCQW-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-propan-2-yloxan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 136.0
[M+Na]+ 193.119898 142.8
[M-H]- 169.123404 140.3
[M+NH4]+ 188.164503 157.6
[M+K]+ 209.093838 143.6
[M+H-H2O]+ 153.127940 131.9
[M+HCOO]- 215.128881 154.7
[M+CH3COO]- 229.144531 181.3
[M+Na-2H]- 191.105346 140.6
[M]+ 170.13013142 135.3
[M]- 170.13122858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.