CID 1822604

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanenitrile

Structural Information

Molecular Formula
C14H19N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC#N
InChI
InChI=1S/C14H19N3O/c1-18-14-6-3-2-5-13(14)17-11-9-16(10-12-17)8-4-7-15/h2-3,5-6H,4,8-12H2,1H3
InChIKey
HLNMXIRDXNHGRY-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

245.15282 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16010 153.4
[M+Na]+ 268.14204 160.8
[M-H]- 244.14554 155.0
[M+NH4]+ 263.18664 166.0
[M+K]+ 284.11598 156.2
[M+H-H2O]+ 228.15008 137.7
[M+HCOO]- 290.15102 167.7
[M+CH3COO]- 304.16667 204.8
[M+Na-2H]- 266.12749 157.0
[M]+ 245.15227 146.2
[M]- 245.15337 146.2
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.