CID 76971272

2470441-00-8

Structural Information

Molecular Formula
C17H27ClN2O
SMILES
CC(C)COCCCN1CCN(CC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H27ClN2O/c1-15(2)14-21-12-4-7-19-8-10-20(11-9-19)17-6-3-5-16(18)13-17/h3,5-6,13,15H,4,7-12,14H2,1-2H3
InChIKey
FRTBSOPDOOIUDF-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[3-(2-methylpropoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.18118 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18846 176.0
[M+Na]+ 333.17040 180.4
[M-H]- 309.17390 178.1
[M+NH4]+ 328.21500 188.6
[M+K]+ 349.14434 175.3
[M+H-H2O]+ 293.17844 166.6
[M+HCOO]- 355.17938 186.8
[M+CH3COO]- 369.19503 206.1
[M+Na-2H]- 331.15585 176.2
[M]+ 310.18063 176.3
[M]- 310.18173 176.3
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

patents stripe