CID 7818

1,4-dimethylpiperazine

Structural Information

Molecular Formula
C6H14N2
SMILES
CN1CCN(CC1)C
InChI
InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3
InChIKey
RXYPXQSKLGGKOL-UHFFFAOYSA-N
Compound name
1,4-dimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

53595
Patents

114.1157 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.122976 125.1
[M+Na]+ 137.104918 131.7
[M-H]- 113.108424 125.4
[M+NH4]+ 132.149523 145.2
[M+K]+ 153.078858 131.2
[M+H-H2O]+ 97.112960 118.4
[M+HCOO]- 159.113901 143.7
[M+CH3COO]- 173.129551 169.9
[M+Na-2H]- 135.090366 131.2
[M]+ 114.11515142 121.0
[M]- 114.11624858 121.0
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