CID 124585031

En300-37364480

Structural Information

Molecular Formula
C8H12O2
SMILES
COC[C@@H]1[C@@H]2[C@H]1C(=O)CC2
InChI
InChI=1S/C8H12O2/c1-10-4-6-5-2-3-7(9)8(5)6/h5-6,8H,2-4H2,1H3/t5-,6-,8-/m1/s1
InChIKey
SLKCIDSJLGFPGQ-ATRFCDNQSA-N
Compound name
(1R,5R,6R)-6-(methoxymethyl)bicyclo[3.1.0]hexan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.1
[M+Na]+ 163.07294 139.9
[M-H]- 139.07644 134.7
[M+NH4]+ 158.11754 149.0
[M+K]+ 179.04688 137.2
[M+H-H2O]+ 123.08098 124.3
[M+HCOO]- 185.08192 151.9
[M+CH3COO]- 199.09757 178.2
[M+Na-2H]- 161.05839 134.2
[M]+ 140.08317 133.1
[M]- 140.08427 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.