CID 3066863

111560-48-6

Structural Information

Molecular Formula
C19H37N2O2
SMILES
CCOC(=O)N1CC[N+](CC1)(C)CCCCCCCCCC=C
InChI
InChI=1S/C19H37N2O2/c1-4-6-7-8-9-10-11-12-13-16-21(3)17-14-20(15-18-21)19(22)23-5-2/h4H,1,5-18H2,2-3H3/q+1
InChIKey
OHHCJHKMQGCLAZ-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-4-undec-10-enylpiperazin-4-ium-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2855 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.29278 184.3
[M+Na]+ 348.27472 186.5
[M-H]- 324.27822 183.0
[M+NH4]+ 343.31932 197.7
[M+K]+ 364.24866 177.6
[M+H-H2O]+ 308.28276 178.9
[M+HCOO]- 370.28370 198.0
[M+CH3COO]- 384.29935 203.3
[M+Na-2H]- 346.26017 186.2
[M]+ 325.28495 184.2
[M]- 325.28605 184.2
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.