CID 85157952

Auberganol

Structural Information

Molecular Formula
C15H28O2
SMILES
CC1C(CCC2(C1CC(CC2)C(C)(C)O)C)O
InChI
InChI=1S/C15H28O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h10-13,16-17H,5-9H2,1-4H3
InChIKey
XALRSJNOMCWQJW-UHFFFAOYSA-N
Compound name
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

240.20892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 159.8
[M+Na]+ 263.19814 164.3
[M-H]- 239.20164 160.5
[M+NH4]+ 258.24274 179.6
[M+K]+ 279.17208 161.3
[M+H-H2O]+ 223.20618 155.8
[M+HCOO]- 285.20712 170.7
[M+CH3COO]- 299.22277 191.1
[M+Na-2H]- 261.18359 162.2
[M]+ 240.20837 153.7
[M]- 240.20947 153.7
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

patents stripe