CID 155819782

2470436-59-8

Structural Information

Molecular Formula
C10H14N2O2
SMILES
COC(=O)C1=CN=CC(=C1)CCCN
InChI
InChI=1S/C10H14N2O2/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9/h5-7H,2-4,11H2,1H3
InChIKey
NURRCPJVHSYPSC-UHFFFAOYSA-N
Compound name
methyl 5-(3-aminopropyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.9
[M+Na]+ 217.09475 150.0
[M-H]- 193.09825 144.7
[M+NH4]+ 212.13935 160.6
[M+K]+ 233.06869 148.3
[M+H-H2O]+ 177.10279 135.8
[M+HCOO]- 239.10373 166.0
[M+CH3COO]- 253.11938 185.6
[M+Na-2H]- 215.08020 148.0
[M]+ 194.10498 143.8
[M]- 194.10608 143.8
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.