CID 94453

34131-99-2

Structural Information

Molecular Formula
C13H24O
SMILES
CC(C)C1CCC2CC(CCC2C1)O
InChI
InChI=1S/C13H24O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-14H,3-8H2,1-2H3
InChIKey
JBMLIVNFPGPRCB-UHFFFAOYSA-N
Compound name
6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

42
Patents

196.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.1
[M+Na]+ 219.171928 151.2
[M-H]- 195.175434 149.7
[M+NH4]+ 214.216533 167.9
[M+K]+ 235.145868 148.7
[M+H-H2O]+ 179.179970 142.6
[M+HCOO]- 241.180911 161.6
[M+CH3COO]- 255.196561 185.2
[M+Na-2H]- 217.157376 149.2
[M]+ 196.18216142 140.6
[M]- 196.18325858 140.6
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