CID 66906

1-(3-chloropropyl)-4-methylpiperazine

Structural Information

Molecular Formula
C8H17ClN2
SMILES
CN1CCN(CC1)CCCCl
InChI
InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey
AUERUDPETOKUPT-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

499
Patents

176.10803 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11531 139.8
[M+Na]+ 199.09725 146.1
[M-H]- 175.10075 139.4
[M+NH4]+ 194.14185 158.2
[M+K]+ 215.07119 143.2
[M+H-H2O]+ 159.10529 133.0
[M+HCOO]- 221.10623 153.0
[M+CH3COO]- 235.12188 179.8
[M+Na-2H]- 197.08270 144.3
[M]+ 176.10748 138.1
[M]- 176.10858 138.1
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