CID 297749

3-(3-cyano-2-norbornyl)propionitrile

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CC2CC1C(C2C#N)CCC#N

InChI

InChI=1S/C11H14N2/c12-5-1-2-10-8-3-4-9(6-8)11(10)7-13/h8-11H,1-4,6H2

InChIKey

RWGHWESYRBVGNB-UHFFFAOYSA-N

Compound name

3-(2-cyanoethyl)bicyclo[2.2.1]heptane-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.11569 Da
Monoisotopic Mass: 1.9
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]+	175.122966	151.9
[M+Na]+	197.104908	162.7
[M-H]-	173.108414	155.1
[M+NH4]+	192.149513	168.9
[M+K]+	213.078848	155.5
[M+H-H2O]+	157.112950	137.8
[M+HCOO]-	219.113891	163.1
[M+CH3COO]-	233.129541	214.8
[M+Na-2H]-	195.090356	152.6
[M]+	174.11514142	143.7
[M]-	174.11623858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe