CID 13222002

89054-75-1

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCCCNCCOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C12H18N2O2/c1-2-3-6-13-8-9-16-12(15)11-5-4-7-14-10-11/h4-5,7,10,13H,2-3,6,8-9H2,1H3
InChIKey
IANDMCDMIRNQJK-UHFFFAOYSA-N
Compound name
2-(butylamino)ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.7
[M+Na]+ 245.126048 157.0
[M-H]- 221.129554 153.2
[M+NH4]+ 240.170653 168.2
[M+K]+ 261.099988 155.0
[M+H-H2O]+ 205.134090 143.9
[M+HCOO]- 267.135031 174.7
[M+CH3COO]- 281.150681 191.2
[M+Na-2H]- 243.111496 157.5
[M]+ 222.13628142 153.9
[M]- 222.13737858 153.9
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.