CID 214728

1,1-dimethylpiperazin-1-ium chloride

Structural Information

Molecular Formula
C6H15N2
SMILES
C[N+]1(CCNCC1)C
InChI
InChI=1S/C6H15N2/c1-8(2)5-3-7-4-6-8/h7H,3-6H2,1-2H3/q+1
InChIKey
CKQFWQCSMNUSRI-UHFFFAOYSA-N
Compound name
1,1-dimethylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

736
Patents

115.12352 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.13080 123.0
[M+Na]+ 138.11274 129.0
[M-H]- 114.11624 122.3
[M+NH4]+ 133.15734 144.1
[M+K]+ 154.08668 122.4
[M+H-H2O]+ 98.120780 120.1
[M+HCOO]- 160.12172 139.8
[M+CH3COO]- 174.13737 159.2
[M+Na-2H]- 136.09819 132.8
[M]+ 115.12297 115.3
[M]- 115.12407 115.3
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