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

145
Patents

225.15175 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 154.8
[M+Na]+ 248.14097 162.8
[M-H]- 224.14447 159.7
[M+NH4]+ 243.18557 171.2
[M+K]+ 264.11491 156.1
[M+H-H2O]+ 208.14901 141.6
[M+HCOO]- 270.14995 171.3
[M+CH3COO]- 284.16560 202.2
[M+Na-2H]- 246.12642 157.2
[M]+ 225.15120 145.7
[M]- 225.15230 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