CID 2574844

1-{[4-(propan-2-yl)phenyl]methyl}piperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C)C1=CC=C(C=C1)CN2CCNCC2
InChI
InChI=1S/C14H22N2/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15-8-10-16/h3-6,12,15H,7-11H2,1-2H3
InChIKey
HOBCRUDGINOFNV-UHFFFAOYSA-N
Compound name
1-[(4-propan-2-ylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

44
Patents

218.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 154.2
[M+Na]+ 241.16752 158.0
[M-H]- 217.17102 155.4
[M+NH4]+ 236.21212 168.8
[M+K]+ 257.14146 153.9
[M+H-H2O]+ 201.17556 145.4
[M+HCOO]- 263.17650 169.0
[M+CH3COO]- 277.19215 187.8
[M+Na-2H]- 239.15297 156.9
[M]+ 218.17775 147.8
[M]- 218.17885 147.8
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