CID 24842826

Sch 2161

Structural Information

Molecular Formula
C14H29N2O2
SMILES
CCN(CC)CCOC(=O)C1CC[N+](CC1)(C)C
InChI
InChI=1S/C14H29N2O2/c1-5-15(6-2)9-12-18-14(17)13-7-10-16(3,4)11-8-13/h13H,5-12H2,1-4H3/q+1
InChIKey
MMBUZVLWXIIRPF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1,1-dimethylpiperidin-1-ium-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.2229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.23018 161.8
[M+Na]+ 280.21212 165.1
[M-H]- 256.21562 164.3
[M+NH4]+ 275.25672 179.7
[M+K]+ 296.18606 159.5
[M+H-H2O]+ 240.22016 157.9
[M+HCOO]- 302.22110 179.8
[M+CH3COO]- 316.23675 195.5
[M+Na-2H]- 278.19757 165.8
[M]+ 257.22235 160.6
[M]- 257.22345 160.6
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.