CID 15606765

96184-40-6

Structural Information

Molecular Formula
C16H19N
SMILES
C/C=C/C1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C16H19N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h2-3,6-7,10-11,13,15H,4-5,8-9H2,1H3/b3-2+
InChIKey
WFVBLRKVRNUULX-NSCUHMNNSA-N
Compound name
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

225.15175 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.159026 154.8
[M+Na]+ 248.140968 162.8
[M-H]- 224.144474 159.7
[M+NH4]+ 243.185573 171.2
[M+K]+ 264.114908 156.1
[M+H-H2O]+ 208.149010 141.6
[M+HCOO]- 270.149951 171.3
[M+CH3COO]- 284.165601 202.2
[M+Na-2H]- 246.126416 157.2
[M]+ 225.15120142 145.7
[M]- 225.15229858 145.7
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