CID 44144660

85409-65-0

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(CC1(CCC2C(C1=O)C2(C)C)C)C(=O)C
InChI
InChI=1S/C15H24O2/c1-9(10(2)16)8-15(5)7-6-11-12(13(15)17)14(11,3)4/h9,11-12H,6-8H2,1-5H3
InChIKey
JLDMXUUKIJKVPA-UHFFFAOYSA-N
Compound name
3,7,7-trimethyl-3-(2-methyl-3-oxobutyl)bicyclo[4.1.0]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 155.1
[M+Na]+ 259.166848 164.1
[M-H]- 235.170354 160.4
[M+NH4]+ 254.211453 173.4
[M+K]+ 275.140788 162.4
[M+H-H2O]+ 219.174890 151.8
[M+HCOO]- 281.175831 171.2
[M+CH3COO]- 295.191481 199.9
[M+Na-2H]- 257.152296 157.4
[M]+ 236.17708142 159.1
[M]- 236.17817858 159.1
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.