CID 54480192

Dtxsid701163838

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(C1(C)C)C=CC(C)(C)C(=O)C
InChI
InChI=1S/C15H24O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,13H,8H2,1-6H3
InChIKey
XOLMHMBQANBLAK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.0
[M+Na]+ 243.17193 159.5
[M-H]- 219.17543 155.8
[M+NH4]+ 238.21653 175.0
[M+K]+ 259.14587 157.0
[M+H-H2O]+ 203.17997 148.5
[M+HCOO]- 265.18091 172.0
[M+CH3COO]- 279.19656 192.5
[M+Na-2H]- 241.15738 153.7
[M]+ 220.18216 153.4
[M]- 220.18326 153.4
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

patents stripe