CID 3020012

Einecs 283-434-5

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1CC(CC(C1)(C)C)CC(=O)C2CCCC2=O
InChI
InChI=1S/C16H26O2/c1-11-7-12(10-16(2,3)9-11)8-15(18)13-5-4-6-14(13)17/h11-13H,4-10H2,1-3H3
InChIKey
JIJOZOBTAJWEID-UHFFFAOYSA-N
Compound name
2-[2-(3,3,5-trimethylcyclohexyl)acetyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

250.19328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 161.0
[M+Na]+ 273.18250 165.5
[M-H]- 249.18600 166.7
[M+NH4]+ 268.22710 181.9
[M+K]+ 289.15644 162.9
[M+H-H2O]+ 233.19054 155.7
[M+HCOO]- 295.19148 178.0
[M+CH3COO]- 309.20713 196.0
[M+Na-2H]- 271.16795 158.7
[M]+ 250.19273 156.7
[M]- 250.19383 156.7
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