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]+ 171.137956 138.7
[M+Na]+ 193.119898 147.5
[M-H]- 169.123404 143.6
[M+NH4]+ 188.164503 157.4
[M+K]+ 209.093838 148.1
[M+H-H2O]+ 153.127940 135.1
[M+HCOO]- 215.128881 154.7
[M+CH3COO]- 229.144531 181.6
[M+Na-2H]- 191.105346 146.2
[M]+ 170.13013142 141.1
[M]- 170.13122858 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

literature stripe

Patent stripe

patents stripe