CID 10931532

73611-02-6

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1([C@@H]2[C@H]1C(=O)O[C@H]2O)C
InChI
InChI=1S/C7H10O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-5,8H,1-2H3/t3-,4+,5-/m1/s1
InChIKey
QHAPONCMFJQXEN-MROZADKFSA-N
Compound name
(1R,4R,5S)-4-hydroxy-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

142.06299 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 128.5
[M+Na]+ 165.05221 140.6
[M+NH4]+ 160.09681 138.9
[M+K]+ 181.02615 137.8
[M-H]- 141.05571 137.1
[M+Na-2H]- 163.03766 134.7
[M]+ 142.06244 133.8
[M]- 142.06354 133.8
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