CID 110319

Propanenitrile, 3-[[2-(1-oxopropoxy)ethyl]phenylamino]-

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCC(=O)OCCN(CCC#N)C1=CC=CC=C1
InChI
InChI=1S/C14H18N2O2/c1-2-14(17)18-12-11-16(10-6-9-15)13-7-4-3-5-8-13/h3-5,7-8H,2,6,10-12H2,1H3
InChIKey
PDBRFOXCYVZTAU-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)anilino]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 160.0
[M+Na]+ 269.12605 169.9
[M+NH4]+ 264.17065 163.7
[M+K]+ 285.09999 160.5
[M-H]- 245.12955 154.6
[M+Na-2H]- 267.11150 162.9
[M]+ 246.13628 158.9
[M]- 246.13738 158.9
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

No patent data available for this compound.