CID 61942

7-oxabicyclo4.1.0heptan-2-one, 6-methyl-3-(1-methylethylidene)-

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(=C1CCC2(C(C1=O)O2)C)C
InChI
InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3
InChIKey
AKASWINDKIEEBO-UHFFFAOYSA-N
Compound name
6-methyl-3-propan-2-ylidene-7-oxabicyclo[4.1.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

123
Patents

166.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 136.4
[M+Na]+ 189.08860 146.4
[M-H]- 165.09210 142.8
[M+NH4]+ 184.13320 154.3
[M+K]+ 205.06254 145.7
[M+H-H2O]+ 149.09664 131.9
[M+HCOO]- 211.09758 154.6
[M+CH3COO]- 225.11323 183.1
[M+Na-2H]- 187.07405 142.7
[M]+ 166.09883 139.0
[M]- 166.09993 139.0
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