CID 30720221

147539-61-5

Structural Information

Molecular Formula
C7H16N2
SMILES
C[C@@H]1CNC[C@@H](N1C)C
InChI
InChI=1S/C7H16N2/c1-6-4-8-5-7(2)9(6)3/h6-8H,4-5H2,1-3H3/t6-,7+
InChIKey
QHVYJSBQXIIROJ-KNVOCYPGSA-N
Compound name
(2S,6R)-1,2,6-trimethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

128.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.138626 130.4
[M+Na]+ 151.120568 137.2
[M-H]- 127.124074 129.6
[M+NH4]+ 146.165173 149.6
[M+K]+ 167.094508 135.4
[M+H-H2O]+ 111.128610 124.1
[M+HCOO]- 173.129551 147.1
[M+CH3COO]- 187.145201 171.4
[M+Na-2H]- 149.106016 134.7
[M]+ 128.13080142 125.2
[M]- 128.13189858 125.2
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