CID 109301

68311-05-7

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC2C(CC1CC2C(C)C)C#N

InChI

InChI=1S/C13H19N/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h4,8,10-13H,5-6H2,1-3H3

InChIKey

ZKFIXNXVHDGDTA-UHFFFAOYSA-N

Compound name

5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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]+	190.15903	149.0
[M+Na]+	212.14097	159.7
[M+NH4]+	207.18557	156.5
[M+K]+	228.11491	148.9
[M-H]-	188.14447	141.4
[M+Na-2H]-	210.12642	145.5
[M]+	189.15120	147.6
[M]-	189.15230	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe