CID 54351962

3,3-dimethyl-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C8H14O
SMILES
CC1(CCC2C(C1)O2)C
InChI
InChI=1S/C8H14O/c1-8(2)4-3-6-7(5-8)9-6/h6-7H,3-5H2,1-2H3
InChIKey
WXICLKYYGYQIGX-UHFFFAOYSA-N
Compound name
3,3-dimethyl-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.3
[M+Na]+ 149.093678 136.8
[M-H]- 125.097184 133.6
[M+NH4]+ 144.138283 146.6
[M+K]+ 165.067618 137.2
[M+H-H2O]+ 109.101720 122.5
[M+HCOO]- 171.102661 146.6
[M+CH3COO]- 185.118311 175.8
[M+Na-2H]- 147.079126 136.3
[M]+ 126.10391142 129.2
[M]- 126.10500858 129.2
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