CID 3065446

2,5-dimethyl-1-undecylpiperazine dihydrochloride

Structural Information

Molecular Formula
C17H36N2
SMILES
CCCCCCCCCCCN1CC(NCC1C)C
InChI
InChI=1S/C17H36N2/c1-4-5-6-7-8-9-10-11-12-13-19-15-16(2)18-14-17(19)3/h16-18H,4-15H2,1-3H3
InChIKey
WWAHRINFERLUJP-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-undecylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.28784 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.29512 174.8
[M+Na]+ 291.27706 177.2
[M-H]- 267.28056 172.0
[M+NH4]+ 286.32166 188.3
[M+K]+ 307.25100 172.8
[M+H-H2O]+ 251.28510 166.4
[M+HCOO]- 313.28604 188.1
[M+CH3COO]- 327.30169 201.6
[M+Na-2H]- 289.26251 173.7
[M]+ 268.28729 173.2
[M]- 268.28839 173.2
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

No patent data available for this compound.