CID 3066317

1-dodecyl-1-methylpiperazinium chloride hydrochloride

Structural Information

Molecular Formula
C17H37N2
SMILES
CCCCCCCCCCCC[N+]1(CCNCC1)C
InChI
InChI=1S/C17H37N2/c1-3-4-5-6-7-8-9-10-11-12-15-19(2)16-13-18-14-17-19/h18H,3-17H2,1-2H3/q+1
InChIKey
RCNKVWXCTBRHIP-UHFFFAOYSA-N
Compound name
1-dodecyl-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.2957 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.30298 172.1
[M+Na]+ 292.28492 173.4
[M-H]- 268.28842 169.2
[M+NH4]+ 287.32952 186.9
[M+K]+ 308.25886 163.9
[M+H-H2O]+ 252.29296 166.9
[M+HCOO]- 314.29390 185.1
[M+CH3COO]- 328.30955 192.5
[M+Na-2H]- 290.27037 176.0
[M]+ 269.29515 168.4
[M]- 269.29625 168.4
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