CID 2756301

112952-20-2

Structural Information

Molecular Formula
C9H17ClN2
SMILES
C=CCN1CCN(CC1)CCCl
InChI
InChI=1S/C9H17ClN2/c1-2-4-11-6-8-12(5-3-10)9-7-11/h2H,1,3-9H2
InChIKey
KGGYYMJKHBIYEO-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-prop-2-enylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

188.10803 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11531 143.2
[M+Na]+ 211.09725 149.4
[M-H]- 187.10075 142.6
[M+NH4]+ 206.14185 160.9
[M+K]+ 227.07119 145.5
[M+H-H2O]+ 171.10529 136.2
[M+HCOO]- 233.10623 156.2
[M+CH3COO]- 247.12188 182.0
[M+Na-2H]- 209.08270 147.1
[M]+ 188.10748 141.1
[M]- 188.10858 141.1
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