CID 95117

5-norbornene-2-carboxaldehyde

Structural Information

Molecular Formula

C₈H₁₀O

SMILES

C1C2CC(C1C=C2)C=O

InChI

InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2

InChIKey

AJIBZRIAUXVGQJ-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1558
Patents: 122.073166 Da
Monoisotopic Mass: 1.1
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]+	123.080442	125.0
[M+Na]+	145.062384	133.6
[M-H]-	121.065890	128.2
[M+NH4]+	140.106989	152.6
[M+K]+	161.036324	131.9
[M+H-H2O]+	105.070426	121.2
[M+HCOO]-	167.071367	148.5
[M+CH3COO]-	181.087017	170.5
[M+Na-2H]-	143.047832	130.3
[M]+	122.07261742	125.0
[M]-	122.07371458	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe