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

0
Patents

228.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.169916 156.5
[M+Na]+ 251.151858 161.6
[M-H]- 227.155364 160.5
[M+NH4]+ 246.196463 171.6
[M+K]+ 267.125798 156.1
[M+H-H2O]+ 211.159900 142.5
[M+HCOO]- 273.160841 172.9
[M+CH3COO]- 287.176491 204.0
[M+Na-2H]- 249.137306 159.7
[M]+ 228.16209142 145.7
[M]- 228.16318858 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.