CID 158018

Akos015912728

Structural Information

Molecular Formula
C12H16O2
SMILES
CCC1(C2C13CCC=CC3C(=O)O2)C
InChI
InChI=1S/C12H16O2/c1-3-11(2)10-12(11)7-5-4-6-8(12)9(13)14-10/h4,6,8,10H,3,5,7H2,1-2H3
InChIKey
WHNUXUAEXHHXPK-UHFFFAOYSA-N
Compound name
1-ethyl-1-methyl-1a,3a,6,7-tetrahydrocyclopropa[c][2]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.0
[M+Na]+ 215.10426 152.9
[M-H]- 191.10776 149.7
[M+NH4]+ 210.14886 163.0
[M+K]+ 231.07820 151.7
[M+H-H2O]+ 175.11230 138.1
[M+HCOO]- 237.11324 160.5
[M+CH3COO]- 251.12889 186.8
[M+Na-2H]- 213.08971 149.3
[M]+ 192.11449 146.4
[M]- 192.11559 146.4
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.