CID 175296

72928-22-4

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CCCC(C1CC=C(C)C)C#N
InChI
InChI=1S/C13H19N/c1-10(2)7-8-13-11(3)5-4-6-12(13)9-14/h5,7,12-13H,4,6,8H2,1-3H3
InChIKey
ZBXFOQKBMBNMBD-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methylbut-2-enyl)cyclohex-3-ene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
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]+ 190.159026 144.4
[M+Na]+ 212.140968 152.6
[M-H]- 188.144474 147.5
[M+NH4]+ 207.185573 162.7
[M+K]+ 228.114908 148.8
[M+H-H2O]+ 172.149010 132.7
[M+HCOO]- 234.149951 161.0
[M+CH3COO]- 248.165601 198.6
[M+Na-2H]- 210.126416 146.3
[M]+ 189.15120142 137.6
[M]- 189.15229858 137.6
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.