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 158.3
[M+Na]+ 266.16277 163.7
[M-H]- 242.16627 158.4
[M+NH4]+ 261.20737 170.0
[M+K]+ 282.13671 158.3
[M+H-H2O]+ 226.17081 142.9
[M+HCOO]- 288.17175 168.9
[M+CH3COO]- 302.18740 203.8
[M+Na-2H]- 264.14822 159.3
[M]+ 243.17300 147.0
[M]- 243.17410 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.