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 147.8
[M+Na]+ 219.17193 153.3
[M-H]- 195.17543 150.2
[M+NH4]+ 214.21653 173.3
[M+K]+ 235.14587 150.9
[M+H-H2O]+ 179.17997 143.5
[M+HCOO]- 241.18091 162.2
[M+CH3COO]- 255.19656 182.5
[M+Na-2H]- 217.15738 153.9
[M]+ 196.18216 141.7
[M]- 196.18326 141.7
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.