CID 291030

1-phenylamino-cyclohexanecarbonitrile

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC(CC1)(C#N)NC2=CC=CC=C2
InChI
InChI=1S/C13H16N2/c14-11-13(9-5-2-6-10-13)15-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-10H2
InChIKey
PLWMXJKEKOKJQU-UHFFFAOYSA-N
Compound name
1-anilinocyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

200.13135 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 148.7
[M+Na]+ 223.12057 156.2
[M-H]- 199.12407 153.6
[M+NH4]+ 218.16517 166.9
[M+K]+ 239.09451 150.2
[M+H-H2O]+ 183.12861 135.6
[M+HCOO]- 245.12955 166.8
[M+CH3COO]- 259.14520 159.1
[M+Na-2H]- 221.10602 154.9
[M]+ 200.13080 138.3
[M]- 200.13190 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe