CID 92038

Einecs 260-028-6

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1CCC(=CC1)CC2CCCC2=O
InChI
InChI=1S/C15H24O/c1-11(2)13-8-6-12(7-9-13)10-14-4-3-5-15(14)16/h6,11,13-14H,3-5,7-10H2,1-2H3
InChIKey
CACFYQYLLIRCQK-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-ylcyclohexen-1-yl)methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.1
[M+Na]+ 243.171928 159.0
[M-H]- 219.175434 160.6
[M+NH4]+ 238.216533 175.1
[M+K]+ 259.145868 156.2
[M+H-H2O]+ 203.179970 148.8
[M+HCOO]- 265.180911 173.5
[M+CH3COO]- 279.196561 190.7
[M+Na-2H]- 241.157376 153.5
[M]+ 220.18216142 150.4
[M]- 220.18325858 150.4
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