CID 202506

10457-86-0

Structural Information

Molecular Formula
C12H22NO2
SMILES
CCCCOC(=O)C1=CCC[N+](C1)(C)C
InChI
InChI=1S/C12H22NO2/c1-4-5-9-15-12(14)11-7-6-8-13(2,3)10-11/h7H,4-6,8-10H2,1-3H3/q+1
InChIKey
QUOQTCFMRXNGPQ-UHFFFAOYSA-N
Compound name
butyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.16505 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.17233 148.4
[M+Na]+ 235.15427 154.3
[M-H]- 211.15777 150.4
[M+NH4]+ 230.19887 168.0
[M+K]+ 251.12821 147.7
[M+H-H2O]+ 195.16231 145.4
[M+HCOO]- 257.16325 167.1
[M+CH3COO]- 271.17890 180.9
[M+Na-2H]- 233.13972 154.8
[M]+ 212.16450 147.5
[M]- 212.16560 147.5
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.