CID 806422

1-allylpiperazine

Structural Information

Molecular Formula
C7H14N2
SMILES
C=CCN1CCNCC1
InChI
InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2
InChIKey
ZWAQJGHGPPDZSF-UHFFFAOYSA-N
Compound name
1-prop-2-enylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6980
Patents

126.1157 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 129.5
[M+Na]+ 149.104918 134.5
[M-H]- 125.108424 127.8
[M+NH4]+ 144.149523 148.0
[M+K]+ 165.078858 132.2
[M+H-H2O]+ 109.112960 122.6
[M+HCOO]- 171.113901 146.4
[M+CH3COO]- 185.129551 168.2
[M+Na-2H]- 147.090366 135.2
[M]+ 126.11515142 122.8
[M]- 126.11624858 122.8
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