CID 165362788

Rojkadfuqpgyjn-chwsqxevsa-n

Structural Information

Molecular Formula
C13H24O
SMILES
C[C@]12CCCC[C@]1(C(CCC2)(C)C)O
InChI
InChI=1S/C13H24O/c1-11(2)7-6-9-12(3)8-4-5-10-13(11,12)14/h14H,4-10H2,1-3H3/t12-,13-/m1/s1
InChIKey
ROJKADFUQPGYJN-CHWSQXEVSA-N
Compound name
(4aR,8aR)-5,5,8a-trimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 148.4
[M+Na]+ 219.17193 158.5
[M+NH4]+ 214.21653 162.4
[M+K]+ 235.14587 146.2
[M-H]- 195.17543 151.0
[M+Na-2H]- 217.15738 156.4
[M]+ 196.18216 151.1
[M]- 196.18326 151.1
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

No patent data available for this compound.