CID 118100

Einecs 251-650-9

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1C(C2C(=O)CCC3C2(C1(C)C)O3)(C)C
InChI
InChI=1S/C14H22O2/c1-8-12(2,3)11-9(15)6-7-10-14(11,16-10)13(8,4)5/h8,10-11H,6-7H2,1-5H3
InChIKey
BWLNXEZTYZEVLK-UHFFFAOYSA-N
Compound name
8,8,9,10,10-pentamethyl-2-oxatricyclo[5.3.0.01,3]decan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

222.16199 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 150.2
[M+Na]+ 245.15121 162.8
[M+NH4]+ 240.19581 164.2
[M+K]+ 261.12515 154.9
[M-H]- 221.15471 161.0
[M+Na-2H]- 243.13666 158.8
[M]+ 222.16144 156.8
[M]- 222.16254 156.8
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