CID 21156150

87641-23-4

Structural Information

Molecular Formula
C14H22O
SMILES
CC1CC(C2=C1CC(CC2)C(=O)C)(C)C
InChI
InChI=1S/C14H22O/c1-9-8-14(3,4)13-6-5-11(10(2)15)7-12(9)13/h9,11H,5-8H2,1-4H3
InChIKey
NKLOYZPNGWCCGP-UHFFFAOYSA-N
Compound name
1-(1,1,3-trimethyl-2,3,4,5,6,7-hexahydroinden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

206.16707 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 148.5
[M+Na]+ 229.15629 155.9
[M-H]- 205.15979 152.8
[M+NH4]+ 224.20089 172.9
[M+K]+ 245.13023 153.1
[M+H-H2O]+ 189.16433 144.3
[M+HCOO]- 251.16527 167.0
[M+CH3COO]- 265.18092 189.9
[M+Na-2H]- 227.14174 149.7
[M]+ 206.16652 146.8
[M]- 206.16762 146.8
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