CID 71007

1206-13-9

Structural Information

Molecular Formula
C14H17N
SMILES
CC1=CC=C(C=C1)C2(CCCCC2)C#N
InChI
InChI=1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
JFUXEEYLCATFIB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

199.1361 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 147.9
[M+Na]+ 222.125318 156.8
[M-H]- 198.128824 153.3
[M+NH4]+ 217.169923 166.9
[M+K]+ 238.099258 150.6
[M+H-H2O]+ 182.133360 135.3
[M+HCOO]- 244.134301 165.0
[M+CH3COO]- 258.149951 196.8
[M+Na-2H]- 220.110766 152.9
[M]+ 199.13555142 138.9
[M]- 199.13664858 138.9
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