CID 65428

6-hydroxydihydrotheaspirane

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC1CCC2(O1)C(CCCC2(C)O)(C)C

InChI

InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3

InChIKey

LJOISVFAMDWVFA-UHFFFAOYSA-N

Compound name

2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 265
Patents: 212.17763 Da
Monoisotopic Mass: 2.5
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]+	213.184906	147.1
[M+Na]+	235.166848	154.2
[M-H]-	211.170354	152.1
[M+NH4]+	230.211453	172.3
[M+K]+	251.140788	153.1
[M+H-H2O]+	195.174890	144.0
[M+HCOO]-	257.175831	163.3
[M+CH3COO]-	271.191481	184.1
[M+Na-2H]-	233.152296	151.9
[M]+	212.17708142	143.9
[M]-	212.17817858	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe