CID 107100

68084-05-9

Structural Information

Molecular Formula
C13H19N
SMILES
CC(=CCCC1C=CCCC1C#N)C
InChI
InChI=1S/C13H19N/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h3,6-7,12-13H,4-5,8-9H2,1-2H3
InChIKey
ZJTPYSDRFRXYMI-UHFFFAOYSA-N
Compound name
2-(4-methylpent-3-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.2
[M+Na]+ 212.14097 152.6
[M-H]- 188.14447 148.0
[M+NH4]+ 207.18557 163.2
[M+K]+ 228.11491 148.7
[M+H-H2O]+ 172.14901 133.2
[M+HCOO]- 234.14995 161.8
[M+CH3COO]- 248.16560 197.6
[M+Na-2H]- 210.12642 147.6
[M]+ 189.15120 138.1
[M]- 189.15230 138.1
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.