CID 548683

5-norbornene-2,3-diacetonitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

C1C2C=CC1C(C2CC#N)CC#N

InChI

InChI=1S/C11H12N2/c12-5-3-10-8-1-2-9(7-8)11(10)4-6-13/h1-2,8-11H,3-4,7H2

InChIKey

FCVWUISGWGCJNK-UHFFFAOYSA-N

Compound name

2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 172.10005 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]+	173.10733	165.7
[M+Na]+	195.08927	173.0
[M+NH4]+	190.13387	167.4
[M+K]+	211.06321	164.1
[M-H]-	171.09277	155.2
[M+Na-2H]-	193.07472	162.8
[M]+	172.09950	162.5
[M]-	172.10060	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe