CID 10931532

Ec 619-753-7

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 125.8
[M+Na]+ 165.05221 138.2
[M-H]- 141.05571 131.6
[M+NH4]+ 160.09681 145.9
[M+K]+ 181.02615 136.9
[M+H-H2O]+ 125.06025 122.9
[M+HCOO]- 187.06119 146.1
[M+CH3COO]- 201.07684 175.5
[M+Na-2H]- 163.03766 132.8
[M]+ 142.06244 130.8
[M]- 142.06354 130.8
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