CID 12309917

4a,5-dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1h-naphthalen-2-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCCC2C1(CC(=C(C)C)C(=O)C2)C
InChI
InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3
InChIKey
HMLGXKHWABZSIS-UHFFFAOYSA-N
Compound name
4a,5-dimethyl-3-propan-2-ylidene-4,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.2
[M+Na]+ 243.17193 157.5
[M-H]- 219.17543 155.7
[M+NH4]+ 238.21653 174.1
[M+K]+ 259.14587 154.5
[M+H-H2O]+ 203.17997 147.3
[M+HCOO]- 265.18091 166.9
[M+CH3COO]- 279.19656 192.2
[M+Na-2H]- 241.15738 153.4
[M]+ 220.18216 146.5
[M]- 220.18326 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.