CID 98106

64644-36-6

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

C1CC2CC1C3C2CC(C3)CO

InChI

InChI=1S/C11H18O/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h7-12H,1-6H2

InChIKey

NJKIJYKRBHGRME-UHFFFAOYSA-N

Compound name

4-tricyclo[5.2.1.02,6]decanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 166.13577 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]+	167.14305	142.1
[M+Na]+	189.12499	148.8
[M-H]-	165.12849	144.5
[M+NH4]+	184.16959	169.9
[M+K]+	205.09893	145.7
[M+H-H2O]+	149.13303	139.0
[M+HCOO]-	211.13397	160.5
[M+CH3COO]-	225.14962	154.9
[M+Na-2H]-	187.11044	142.7
[M]+	166.13522	139.1
[M]-	166.13632	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe