CID 609464

Ethanone, 1-(5,6,7,8-tetrahydro-2,8,8-trimethyl-4h-cyclohepta[b]furan-5-yl)-

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1=CC2=C(O1)C(CCC(C2)C(=O)C)(C)C
InChI
InChI=1S/C14H20O2/c1-9-7-12-8-11(10(2)15)5-6-14(3,4)13(12)16-9/h7,11H,5-6,8H2,1-4H3
InChIKey
KFMKURGCUHDJLK-UHFFFAOYSA-N
Compound name
1-(2,8,8-trimethyl-4,5,6,7-tetrahydrocyclohepta[b]furan-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 145.3
[M+Na]+ 243.135548 151.9
[M-H]- 219.139054 151.8
[M+NH4]+ 238.180153 166.4
[M+K]+ 259.109488 153.6
[M+H-H2O]+ 203.143590 141.8
[M+HCOO]- 265.144531 164.0
[M+CH3COO]- 279.160181 192.7
[M+Na-2H]- 241.120996 148.5
[M]+ 220.14578142 143.9
[M]- 220.14687858 143.9
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.