CID 57661847

5,5-dimethyl-1-oxaspiro[2.4]heptane

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(CCC2(C1)CO2)C
InChI
InChI=1S/C8H14O/c1-7(2)3-4-8(5-7)6-9-8/h3-6H2,1-2H3
InChIKey
MGDLGRDCPDEUJR-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1-oxaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 126.0
[M+Na]+ 149.093678 135.9
[M-H]- 125.097184 133.7
[M+NH4]+ 144.138283 147.9
[M+K]+ 165.067618 136.9
[M+H-H2O]+ 109.101720 122.5
[M+HCOO]- 171.102661 147.1
[M+CH3COO]- 185.118311 173.2
[M+Na-2H]- 147.079126 134.5
[M]+ 126.10391142 128.2
[M]- 126.10500858 128.2
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