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

90
Patents

250.19328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 161.0
[M+Na]+ 273.182498 165.5
[M-H]- 249.186004 166.7
[M+NH4]+ 268.227103 181.9
[M+K]+ 289.156438 162.9
[M+H-H2O]+ 233.190540 155.7
[M+HCOO]- 295.191481 178.0
[M+CH3COO]- 309.207131 196.0
[M+Na-2H]- 271.167946 158.7
[M]+ 250.19273142 156.7
[M]- 250.19382858 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