CID 14616896

6-methyl-1-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CCC2(CC1)CO2
InChI
InChI=1S/C8H14O/c1-7-2-4-8(5-3-7)6-9-8/h7H,2-6H2,1H3
InChIKey
QWEHPDHDKIVFDV-UHFFFAOYSA-N
Compound name
6-methyl-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.4
[M+Na]+ 149.093678 135.6
[M-H]- 125.097184 134.6
[M+NH4]+ 144.138283 145.7
[M+K]+ 165.067618 136.5
[M+H-H2O]+ 109.101720 122.1
[M+HCOO]- 171.102661 147.1
[M+CH3COO]- 185.118311 173.6
[M+Na-2H]- 147.079126 136.1
[M]+ 126.10391142 127.1
[M]- 126.10500858 127.1
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

patents stripe