CID 3045979

3-cyano-5-norbornene-2-propionitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1C2C=CC1C(C2CCC#N)C#N

InChI

InChI=1S/C11H12N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h3-4,8-11H,1-2,6H2

InChIKey

PEMAPXPHTXIHAU-UHFFFAOYSA-N

Compound name

3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.10005 Da
Monoisotopic Mass: 1.3
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]+	173.10733	152.5
[M+Na]+	195.08927	164.0
[M-H]-	171.09277	155.8
[M+NH4]+	190.13387	169.6
[M+K]+	211.06321	156.7
[M+H-H2O]+	155.09731	138.3
[M+HCOO]-	217.09825	164.6
[M+CH3COO]-	231.11390	214.5
[M+Na-2H]-	193.07472	153.7
[M]+	172.09950	145.2
[M]-	172.10060	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe