CID 175290

72928-05-3

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC(=C1CC2CCC1C2)CC#N

InChI

InChI=1S/C11H15N/c1-8(4-5-12)11-7-9-2-3-10(11)6-9/h9-10H,2-4,6-7H2,1H3

InChIKey

LCCCGWWVPRIPBC-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]heptanylidene)butanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 161.12045 Da
Monoisotopic Mass: 2.6
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]+	162.127726	142.1
[M+Na]+	184.109668	151.5
[M-H]-	160.113174	144.6
[M+NH4]+	179.154273	165.6
[M+K]+	200.083608	145.7
[M+H-H2O]+	144.117710	131.1
[M+HCOO]-	206.118651	158.9
[M+CH3COO]-	220.134301	191.7
[M+Na-2H]-	182.095116	143.7
[M]+	161.11990142	135.0
[M]-	161.12099858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.