CID 112653

63449-97-8

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC(=O)C2C3CCCCC3C2(C1)C)C
InChI
InChI=1S/C15H24O/c1-14(2)8-12(16)13-10-6-4-5-7-11(10)15(13,3)9-14/h10-11,13H,4-9H2,1-3H3
InChIKey
YFMCAPRFUZKMSF-UHFFFAOYSA-N
Compound name
3,3,4a-trimethyl-4,4b,5,6,7,8,8a,8b-octahydro-2H-biphenylen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.1
[M+Na]+ 243.17193 157.0
[M-H]- 219.17543 155.9
[M+NH4]+ 238.21653 169.5
[M+K]+ 259.14587 156.5
[M+H-H2O]+ 203.17997 142.2
[M+HCOO]- 265.18091 164.8
[M+CH3COO]- 279.19656 195.4
[M+Na-2H]- 241.15738 155.5
[M]+ 220.18216 155.7
[M]- 220.18326 155.7
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