CID 95330

Exo-2-methoxybornane

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC1(C2CCC1(C(C2)OC)C)C

InChI

InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3

InChIKey

ZRHVOKYSOWTPIG-UHFFFAOYSA-N

Compound name

2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 198
Patents: 168.15141 Da
Monoisotopic Mass: 3.3
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]+	169.158686	139.1
[M+Na]+	191.140628	148.1
[M-H]-	167.144134	142.5
[M+NH4]+	186.185233	169.3
[M+K]+	207.114568	146.0
[M+H-H2O]+	151.148670	136.5
[M+HCOO]-	213.149611	160.0
[M+CH3COO]-	227.165261	181.2
[M+Na-2H]-	189.126076	143.6
[M]+	168.15086142	140.4
[M]-	168.15195858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe