CID 109062

61204-00-0

Structural Information

Molecular Formula
C17H23N
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3
InChIKey
YYAVXASAKUOZJJ-UHFFFAOYSA-N
Compound name
4-(4-butylcyclohexyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

480
Patents

241.18304 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 158.3
[M+Na]+ 264.17226 165.6
[M-H]- 240.17576 163.0
[M+NH4]+ 259.21686 174.1
[M+K]+ 280.14620 159.3
[M+H-H2O]+ 224.18030 144.9
[M+HCOO]- 286.18124 174.4
[M+CH3COO]- 300.19689 206.3
[M+Na-2H]- 262.15771 160.4
[M]+ 241.18249 150.3
[M]- 241.18359 150.3
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