CID 3024271

2,3,4,5,6,7-hexahydro-4-isopropyl-2,7-dimethyl-1h-inden-1-one

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CCC(C2=C1C(=O)C(C2)C)C(C)C
InChI
InChI=1S/C14H22O/c1-8(2)11-6-5-9(3)13-12(11)7-10(4)14(13)15/h8-11H,5-7H2,1-4H3
InChIKey
LLSSPTISLIDNTK-UHFFFAOYSA-N
Compound name
2,7-dimethyl-4-propan-2-yl-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 148.8
[M+Na]+ 229.156288 156.1
[M-H]- 205.159794 153.2
[M+NH4]+ 224.200893 171.5
[M+K]+ 245.130228 153.3
[M+H-H2O]+ 189.164330 144.2
[M+HCOO]- 251.165271 167.4
[M+CH3COO]- 265.180921 191.5
[M+Na-2H]- 227.141736 148.3
[M]+ 206.16652142 147.3
[M]- 206.16761858 147.3
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.