CID 3045643

61015-31-4

Structural Information

Molecular Formula
C14H20N3
SMILES
C[N+]1(CCN(CC1)C2=CC=CC=C2)CCC#N
InChI
InChI=1S/C14H20N3/c1-17(11-5-8-15)12-9-16(10-13-17)14-6-3-2-4-7-14/h2-4,6-7H,5,9-13H2,1H3/q+1
InChIKey
JWTNOBXYJBYPNO-UHFFFAOYSA-N
Compound name
3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16573 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17301 154.6
[M+Na]+ 253.15495 168.9
[M+NH4]+ 248.19955 162.0
[M+K]+ 269.12889 156.7
[M-H]- 229.15845 152.3
[M+Na-2H]- 251.14040 161.7
[M]+ 230.16518 155.7
[M]- 230.16628 155.7
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.