CID 137379059

Vpt58cc7m7

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-/m0/s1
InChIKey
ROJKADFUQPGYJN-STQMWFEESA-N
Compound name
(4aS,8aS)-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

7
Patents

196.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 147.8
[M+Na]+ 219.171928 153.3
[M-H]- 195.175434 150.2
[M+NH4]+ 214.216533 173.3
[M+K]+ 235.145868 150.9
[M+H-H2O]+ 179.179970 143.5
[M+HCOO]- 241.180911 162.2
[M+CH3COO]- 255.196561 182.5
[M+Na-2H]- 217.157376 153.9
[M]+ 196.18216142 141.7
[M]- 196.18325858 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

patents stripe