CID 131752034

1-(7a-methyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl)ethanone

Structural Information

Molecular Formula
C15H26O
SMILES
CC(C)C1CCC2(CCCC2C1C(=O)C)C
InChI
InChI=1S/C15H26O/c1-10(2)12-7-9-15(4)8-5-6-13(15)14(12)11(3)16/h10,12-14H,5-9H2,1-4H3
InChIKey
SSCVGFQOFLDIGI-UHFFFAOYSA-N
Compound name
1-(7a-methyl-5-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 156.4
[M+Na]+ 245.18758 161.1
[M-H]- 221.19108 159.8
[M+NH4]+ 240.23218 179.7
[M+K]+ 261.16152 158.7
[M+H-H2O]+ 205.19562 151.9
[M+HCOO]- 267.19656 172.0
[M+CH3COO]- 281.21221 193.0
[M+Na-2H]- 243.17303 155.4
[M]+ 222.19781 152.5
[M]- 222.19891 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.