CID 102231

2-norbornanecarbonitrile

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

C1CC2CC1CC2C#N

InChI

InChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-4H2

InChIKey

GAHKEUUHTHVKEA-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]heptane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1319
Patents: 121.08915 Da
Monoisotopic Mass: 2.0
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]+	122.09643	127.5
[M+Na]+	144.07837	137.9
[M-H]-	120.08187	130.3
[M+NH4]+	139.12297	152.4
[M+K]+	160.05231	133.0
[M+H-H2O]+	104.08641	116.8
[M+HCOO]-	166.08735	146.0
[M+CH3COO]-	180.10300	140.5
[M+Na-2H]-	142.06382	131.8
[M]+	121.08860	120.8
[M]-	121.08970	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe