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: 59
Patents: 196.18271 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.18999	148.1
[M+Na]+	219.17193	151.2
[M-H]-	195.17543	149.7
[M+NH4]+	214.21653	167.9
[M+K]+	235.14587	148.7
[M+H-H2O]+	179.17997	142.6
[M+HCOO]-	241.18091	161.6
[M+CH3COO]-	255.19656	185.2
[M+Na-2H]-	217.15738	149.2
[M]+	196.18216	140.6
[M]-	196.18326	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe