CID 175291

72928-06-4

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C=C(CC#N)C1CC2CCC1C2

InChI

InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-11H,1-4,6-7H2

InChIKey

OAOBTFQDDZCFJD-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.12045 Da
Monoisotopic Mass: 3.3
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]+	162.12773	140.7
[M+Na]+	184.10967	149.0
[M+NH4]+	179.15427	146.6
[M+K]+	200.08361	142.6
[M-H]-	160.11317	134.0
[M+Na-2H]-	182.09512	139.8
[M]+	161.11990	138.9
[M]-	161.12100	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.