CID 162452

41199-19-3

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC1(CCC=C2C1CCC(C2)(C)O)C

InChI

InChI=1S/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3

InChIKey

GPVOTKFXWGURGP-UHFFFAOYSA-N

Compound name

2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2321
Patents: 194.16707 Da
Monoisotopic Mass: 2.8
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]+	195.174346	145.6
[M+Na]+	217.156288	152.1
[M-H]-	193.159794	148.4
[M+NH4]+	212.200893	169.7
[M+K]+	233.130228	149.3
[M+H-H2O]+	177.164330	141.1
[M+HCOO]-	239.165271	161.6
[M+CH3COO]-	253.180921	183.2
[M+Na-2H]-	215.141736	151.1
[M]+	194.16652142	140.9
[M]-	194.16761858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe