CID 329293

Nsc311040

Structural Information

Molecular Formula
C23H34O4
SMILES
CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2(C)C)C
InChI
InChI=1S/C23H34O4/c1-14-9-11-23(5)18(8-7-10-21(23,2)3)22(14,4)13-15-19(25)16(24)12-17(27-6)20(15)26/h12,14,18,25H,7-11,13H2,1-6H3
InChIKey
ZMWPUCGPHZVIMQ-UHFFFAOYSA-N
Compound name
3-[(1,2,4a,5,5-pentamethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2457 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.25298 186.1
[M+Na]+ 397.23492 193.5
[M-H]- 373.23842 191.8
[M+NH4]+ 392.27952 205.3
[M+K]+ 413.20886 189.9
[M+H-H2O]+ 357.24296 180.3
[M+HCOO]- 419.24390 197.9
[M+CH3COO]- 433.25955 220.6
[M+Na-2H]- 395.22037 186.1
[M]+ 374.24515 185.2
[M]- 374.24625 185.2
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.