CID 11029843

Rac-(1r,5s)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one

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

14
Patents

126.06808 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 123.7
[M+Na]+ 149.057298 135.7
[M-H]- 125.060804 130.6
[M+NH4]+ 144.101903 144.9
[M+K]+ 165.031238 135.2
[M+H-H2O]+ 109.065340 120.3
[M+HCOO]- 171.066281 145.4
[M+CH3COO]- 185.081931 174.8
[M+Na-2H]- 147.042746 131.5
[M]+ 126.06753142 128.5
[M]- 126.06862858 128.5
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