CID 3065446

108063-02-1

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]+ 269.295116 174.8
[M+Na]+ 291.277058 177.2
[M-H]- 267.280564 172.0
[M+NH4]+ 286.321663 188.3
[M+K]+ 307.250998 172.8
[M+H-H2O]+ 251.285100 166.4
[M+HCOO]- 313.286041 188.1
[M+CH3COO]- 327.301691 201.6
[M+Na-2H]- 289.262506 173.7
[M]+ 268.28729142 173.2
[M]- 268.28838858 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.