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]+ 244.180826 158.3
[M+Na]+ 266.162768 163.7
[M-H]- 242.166274 158.4
[M+NH4]+ 261.207373 170.0
[M+K]+ 282.136708 158.3
[M+H-H2O]+ 226.170810 142.9
[M+HCOO]- 288.171751 168.9
[M+CH3COO]- 302.187401 203.8
[M+Na-2H]- 264.148216 159.3
[M]+ 243.17300142 147.0
[M]- 243.17409858 147.0
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.