CID 18070703

2-(piperazin-1-yl)-2-[4-(propan-2-yl)phenyl]acetonitrile

Structural Information

Molecular Formula
C15H21N3
SMILES
CC(C)C1=CC=C(C=C1)C(C#N)N2CCNCC2
InChI
InChI=1S/C15H21N3/c1-12(2)13-3-5-14(6-4-13)15(11-16)18-9-7-17-8-10-18/h3-6,12,15,17H,7-10H2,1-2H3
InChIKey
LSPPCBOURUQHTG-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-2-(4-propan-2-ylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.17355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 162.6
[M+Na]+ 266.16277 173.5
[M+NH4]+ 261.20737 166.7
[M+K]+ 282.13671 163.8
[M-H]- 242.16627 157.8
[M+Na-2H]- 264.14822 165.8
[M]+ 243.17300 161.8
[M]- 243.17410 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.