CID 535224

(+)-angelicoidenol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(C2CC(C1(CC2O)C)O)C

InChI

InChI=1S/C10H18O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-8,11-12H,4-5H2,1-3H3

InChIKey

HLVIHBJQDKVEAL-UHFFFAOYSA-N

Compound name

1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 1.4
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]+	171.13796	138.1
[M+Na]+	193.11990	147.6
[M-H]-	169.12340	139.3
[M+NH4]+	188.16450	167.1
[M+K]+	209.09384	144.4
[M+H-H2O]+	153.12794	136.7
[M+HCOO]-	215.12888	156.4
[M+CH3COO]-	229.14453	176.2
[M+Na-2H]-	191.10535	142.1
[M]+	170.13013	137.3
[M]-	170.13123	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe