CID 3063129

334 hc

Structural Information

Molecular Formula
C20H42N4
SMILES
C[N+]1(CCCCC1)CCN2CCN(CC2)CC[N+]3(CCCCC3)C
InChI
InChI=1S/C20H42N4/c1-23(15-5-3-6-16-23)19-13-21-9-11-22(12-10-21)14-20-24(2)17-7-4-8-18-24/h3-20H2,1-2H3/q+2
InChIKey
TWNDTWBRYWQPFA-UHFFFAOYSA-N
Compound name
1,4-bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.34094 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.34822 189.7
[M+Na]+ 361.33016 187.8
[M-H]- 337.33366 190.4
[M+NH4]+ 356.37476 199.8
[M+K]+ 377.30410 173.2
[M+H-H2O]+ 321.33820 181.7
[M+HCOO]- 383.33914 193.9
[M+CH3COO]- 397.35479 198.4
[M+Na-2H]- 359.31561 193.1
[M]+ 338.34039 175.0
[M]- 338.34149 175.0
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

No patent data available for this compound.