CID 110764

Einecs 228-030-1

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1(C2CCC(C2)C13CCC(=O)O3)C
InChI
InChI=1S/C12H18O2/c1-11(2)8-3-4-9(7-8)12(11)6-5-10(13)14-12/h8-9H,3-7H2,1-2H3
InChIKey
QVTZYJHTBWCKAM-UHFFFAOYSA-N
Compound name
2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,5'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 145.1
[M+Na]+ 217.119898 153.8
[M-H]- 193.123404 151.1
[M+NH4]+ 212.164503 174.4
[M+K]+ 233.093838 151.8
[M+H-H2O]+ 177.127940 142.9
[M+HCOO]- 239.128881 164.3
[M+CH3COO]- 253.144531 159.1
[M+Na-2H]- 215.105346 148.0
[M]+ 194.13013142 144.3
[M]- 194.13122858 144.3
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.