CID 107099

3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbonitrile

Structural Information

Molecular Formula
C13H19N
SMILES
CC(=CCCC1=CCCC(C1)C#N)C
InChI
InChI=1S/C13H19N/c1-11(2)5-3-6-12-7-4-8-13(9-12)10-14/h5,7,13H,3-4,6,8-9H2,1-2H3
InChIKey
GEJOPKQYKGEUFA-UHFFFAOYSA-N
Compound name
3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 147.4
[M+Na]+ 212.14097 158.1
[M+NH4]+ 207.18557 152.5
[M+K]+ 228.11491 147.8
[M-H]- 188.14447 142.3
[M+Na-2H]- 210.12642 149.9
[M]+ 189.15120 146.5
[M]- 189.15230 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe