CID 11029843

82442-72-6

Structural Information

Molecular Formula
C7H10O2
SMILES
CC1([C@H]2[C@@H]1C(=O)OC2)C
InChI
InChI=1S/C7H10O2/c1-7(2)4-3-9-6(8)5(4)7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey
CTLLMXVSHAUPFO-RFZPGFLSSA-N
Compound name
(1S,5R)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

126.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.7
[M+Na]+ 149.05730 138.4
[M+NH4]+ 144.10190 136.9
[M+K]+ 165.03124 134.6
[M-H]- 125.06080 135.1
[M+Na-2H]- 147.04275 133.0
[M]+ 126.06753 131.4
[M]- 126.06863 131.4
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