CID 605626

Refchem:1093171

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1(CCCC2=C1C3C(C2)CC(=O)O3)C
InChI
InChI=1S/C13H18O2/c1-13(2)5-3-4-8-6-9-7-10(14)15-12(9)11(8)13/h9,12H,3-7H2,1-2H3
InChIKey
AFUVERHXBGWDBX-UHFFFAOYSA-N
Compound name
8,8-dimethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.3
[M+Na]+ 229.119898 154.7
[M-H]- 205.123404 152.2
[M+NH4]+ 224.164503 172.0
[M+K]+ 245.093838 152.4
[M+H-H2O]+ 189.127940 142.7
[M+HCOO]- 251.128881 164.5
[M+CH3COO]- 265.144531 159.9
[M+Na-2H]- 227.105346 149.3
[M]+ 206.13013142 145.1
[M]- 206.13122858 145.1
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

patents stripe