CID 139594867

Ns00005405

Structural Information

Molecular Formula
C16H26O2
SMILES
CC1C=C2C(CCC(C2CC1(C)C(=O)C)(C)C)O
InChI
InChI=1S/C16H26O2/c1-10-8-12-13(9-16(10,5)11(2)17)15(3,4)7-6-14(12)18/h8,10,13-14,18H,6-7,9H2,1-5H3
InChIKey
FDJHKYIPKONSGX-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-2,3,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 157.8
[M+Na]+ 273.182498 164.8
[M-H]- 249.186004 160.7
[M+NH4]+ 268.227103 180.1
[M+K]+ 289.156438 162.0
[M+H-H2O]+ 233.190540 153.7
[M+HCOO]- 295.191481 172.0
[M+CH3COO]- 309.207131 196.8
[M+Na-2H]- 271.167946 159.7
[M]+ 250.19273142 155.2
[M]- 250.19382858 155.2
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.