CID 447414

5-exo-hydroxycamphor

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C[C@@]12C[C@H]([C@@H](C1(C)C)CC2=O)O

InChI

InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1

InChIKey

DJQYBVLXBVJHMU-PJKMHFRUSA-N

Compound name

(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 65
Patents: 168.11504 Da
Monoisotopic Mass: 1.0
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]+	169.12232	136.3
[M+Na]+	191.10426	144.9
[M+NH4]+	186.14886	148.0
[M+K]+	207.07820	139.7
[M-H]-	167.10776	135.8
[M+Na-2H]-	189.08971	139.6
[M]+	168.11449	137.4
[M]-	168.11559	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe