CID 16227070

2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile

Structural Information

Molecular Formula
C13H17N3O
SMILES
CN1CCN(CC1)C(C#N)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H17N3O/c1-15-6-8-16(9-7-15)13(10-14)11-2-4-12(17)5-3-11/h2-5,13,17H,6-9H2,1H3
InChIKey
PMWBLBVQEKZKNT-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 156.7
[M+Na]+ 254.12638 168.1
[M+NH4]+ 249.17098 160.7
[M+K]+ 270.10032 158.9
[M-H]- 230.12988 151.7
[M+Na-2H]- 252.11183 160.1
[M]+ 231.13661 155.9
[M]- 231.13771 155.9
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

No patent data available for this compound.