CID 175286

72928-01-9

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CCC(CC1CC=C(C)C)C#N
InChI
InChI=1S/C13H19N/c1-10(2)4-7-13-8-12(9-14)6-5-11(13)3/h4-5,12-13H,6-8H2,1-3H3
InChIKey
DOAJNMLFKJDTEV-UHFFFAOYSA-N
Compound name
4-methyl-5-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.9
[M+Na]+ 212.14097 157.0
[M+NH4]+ 207.18557 151.1
[M+K]+ 228.11491 146.9
[M-H]- 188.14447 140.9
[M+Na-2H]- 210.12642 148.4
[M]+ 189.15120 145.2
[M]- 189.15230 145.2
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

No patent data available for this compound.