CID 71520

Dimecolin

Structural Information

Molecular Formula
C14H30N2O2
SMILES
CC1CCCC([N+]1(C)C)C(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2
InChIKey
ZRPJBDLMSFSJJW-UHFFFAOYSA-N
Compound name
trimethyl-[2-(1,1,6-trimethylpiperidin-1-ium-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

434
Patents

258.23074 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.23802 157.0
[M+Na]+ 281.21996 161.9
[M-H]- 257.22346 160.4
[M+NH4]+ 276.26456 175.2
[M+K]+ 297.19390 150.7
[M+H-H2O]+ 241.22800 157.1
[M+HCOO]- 303.22894 173.9
[M+CH3COO]- 317.24459 190.1
[M+Na-2H]- 279.20541 165.4
[M]+ 258.23019 154.7
[M]- 258.23129 154.7
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