CID 15601437

6-(1,2-dihydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1CC(=O)C=C2C1(CC(CC2)C(C)(CO)O)C
InChI
InChI=1S/C15H24O3/c1-10-6-13(17)7-11-4-5-12(8-14(10,11)2)15(3,18)9-16/h7,10,12,16,18H,4-6,8-9H2,1-3H3
InChIKey
DJPISZPEZJGKKI-UHFFFAOYSA-N
Compound name
6-(1,2-dihydroxypropan-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 159.9
[M+Na]+ 275.161768 165.5
[M-H]- 251.165274 161.0
[M+NH4]+ 270.206373 179.1
[M+K]+ 291.135708 162.3
[M+H-H2O]+ 235.169810 155.6
[M+HCOO]- 297.170751 172.6
[M+CH3COO]- 311.186401 192.0
[M+Na-2H]- 273.147216 163.5
[M]+ 252.17200142 156.0
[M]- 252.17309858 156.0
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

No patent data available for this compound.