CID 201728

Matridin-15-one, 11,12,13,14-tetrahydro-

Structural Information

Molecular Formula
C16H22O
SMILES
CC1=C(C2=C(CCC2(C)C)C(=C1C(=O)C)C)C
InChI
InChI=1S/C16H22O/c1-9-10(2)15-13(7-8-16(15,5)6)11(3)14(9)12(4)17/h7-8H2,1-6H3
InChIKey
OGHYUUFNTFDTIU-UHFFFAOYSA-N
Compound name
1-(1,1,4,6,7-pentamethyl-2,3-dihydroinden-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17435 151.2
[M+Na]+ 253.15629 161.7
[M-H]- 229.15979 156.8
[M+NH4]+ 248.20089 175.5
[M+K]+ 269.13023 158.2
[M+H-H2O]+ 213.16433 147.3
[M+HCOO]- 275.16527 172.1
[M+CH3COO]- 289.18092 197.6
[M+Na-2H]- 251.14174 152.4
[M]+ 230.16652 154.1
[M]- 230.16762 154.1
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