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

literature stripe

Patent stripe

patents stripe