CID 831494

3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile

Structural Information

Molecular Formula
C14H17N3O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC#N
InChI
InChI=1S/C14H17N3O2/c1-19-13-4-2-12(3-5-13)16-8-10-17(11-9-16)14(18)6-7-15/h2-5H,6,8-11H2,1H3
InChIKey
YVDKFZIMWQRWNU-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 162.7
[M+Na]+ 282.12130 174.0
[M+NH4]+ 277.16590 166.1
[M+K]+ 298.09524 164.6
[M-H]- 258.12480 157.4
[M+Na-2H]- 280.10675 165.8
[M]+ 259.13153 161.8
[M]- 259.13263 161.8
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.