CID 53485214

2-(iodomethyl)bicyclo[2.2.1]heptane

Structural Information

Molecular Formula

C₈H₁₃I

SMILES

C1CC2CC1CC2CI

InChI

InChI=1S/C8H13I/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2

InChIKey

CVFNHQHHCQFJDT-UHFFFAOYSA-N

Compound name

2-(iodomethyl)bicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 236.0062 Da
Monoisotopic Mass: 4.0
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]+	237.01348	131.1
[M+Na]+	258.99542	131.4
[M-H]-	234.99892	127.0
[M+NH4]+	254.04002	153.2
[M+K]+	274.96936	135.4
[M+H-H2O]+	219.00346	123.7
[M+HCOO]-	281.00440	147.8
[M+CH3COO]-	295.02005	181.7
[M+Na-2H]-	256.98087	123.6
[M]+	236.00565	126.7
[M]-	236.00675	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe