CID 78946

5-norbornene-2-methanol

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1C2CC(C1C=C2)CO

InChI

InChI=1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2

InChIKey

LUMNWCHHXDUKFI-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5059
Patents: 124.08881 Da
Monoisotopic Mass: 1.2
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]+	125.096086	126.6
[M+Na]+	147.078028	134.6
[M-H]-	123.081534	128.5
[M+NH4]+	142.122633	153.6
[M+K]+	163.051968	132.5
[M+H-H2O]+	107.086070	123.0
[M+HCOO]-	169.087011	148.5
[M+CH3COO]-	183.102661	168.8
[M+Na-2H]-	145.063476	131.5
[M]+	124.08826142	125.5
[M]-	124.08935858	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe