CID 100367

1-dodecylpiperidine 1-oxide

Structural Information

Molecular Formula
C17H35NO
SMILES
CCCCCCCCCCCC[N+]1(CCCCC1)[O-]
InChI
InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-12-15-18(19)16-13-11-14-17-18/h2-17H2,1H3
InChIKey
ZELXQOMIZMDPHB-UHFFFAOYSA-N
Compound name
1-dodecyl-1-oxidopiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

269.27185 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.27913 173.2
[M+Na]+ 292.26107 174.3
[M-H]- 268.26457 171.5
[M+NH4]+ 287.30567 189.2
[M+K]+ 308.23501 166.4
[M+H-H2O]+ 252.26911 170.8
[M+HCOO]- 314.27005 188.6
[M+CH3COO]- 328.28570 191.7
[M+Na-2H]- 290.24652 176.2
[M]+ 269.27130 169.8
[M]- 269.27240 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe