CID 414412

73826-30-9

Structural Information

Molecular Formula
C15H20N2
SMILES
C1CCC(CC1)NCC(C#N)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2/c16-11-14(13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1,3-4,7-8,14-15,17H,2,5-6,9-10,12H2
InChIKey
YGSWGIPMLCTTNY-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 156.5
[M+Na]+ 251.15186 161.6
[M-H]- 227.15536 160.5
[M+NH4]+ 246.19646 171.6
[M+K]+ 267.12580 156.1
[M+H-H2O]+ 211.15990 142.5
[M+HCOO]- 273.16084 172.9
[M+CH3COO]- 287.17649 204.0
[M+Na-2H]- 249.13731 159.7
[M]+ 228.16209 145.7
[M]- 228.16319 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

No patent data available for this compound.