CID 94116

7-oxabicyclo[4.1.0]heptan-3-ol, 6-methyl-3-(1-methylethyl)-

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)C1(CCC2(C(C1)O2)C)O
InChI
InChI=1S/C10H18O2/c1-7(2)10(11)5-4-9(3)8(6-10)12-9/h7-8,11H,4-6H2,1-3H3
InChIKey
JLNJUKBAHGGNLB-UHFFFAOYSA-N
Compound name
6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 138.7
[M+Na]+ 193.11990 147.5
[M-H]- 169.12340 143.6
[M+NH4]+ 188.16450 157.4
[M+K]+ 209.09384 148.1
[M+H-H2O]+ 153.12794 135.1
[M+HCOO]- 215.12888 154.7
[M+CH3COO]- 229.14453 181.6
[M+Na-2H]- 191.10535 146.2
[M]+ 170.13013 141.1
[M]- 170.13123 141.1
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

No patent data available for this compound.