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

457
Patents

128.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.13863 130.4
[M+Na]+ 151.12057 137.2
[M-H]- 127.12407 129.6
[M+NH4]+ 146.16517 149.6
[M+K]+ 167.09451 135.4
[M+H-H2O]+ 111.12861 124.1
[M+HCOO]- 173.12955 147.1
[M+CH3COO]- 187.14520 171.4
[M+Na-2H]- 149.10602 134.7
[M]+ 128.13080 125.2
[M]- 128.13190 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