CID 154848823

2470441-17-7

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC(COC1=CC=CC(=N1)C(=O)O)N
InChI
InChI=1S/C9H12N2O3/c1-6(10)5-14-8-4-2-3-7(11-8)9(12)13/h2-4,6H,5,10H2,1H3,(H,12,13)
InChIKey
IJLRLFHWFQHSFJ-UHFFFAOYSA-N
Compound name
6-(2-aminopropoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.0848 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.8
[M+Na]+ 219.07402 148.4
[M-H]- 195.07752 142.3
[M+NH4]+ 214.11862 158.4
[M+K]+ 235.04796 147.0
[M+H-H2O]+ 179.08206 134.9
[M+HCOO]- 241.08300 162.8
[M+CH3COO]- 255.09865 183.8
[M+Na-2H]- 217.05947 145.6
[M]+ 196.08425 141.2
[M]- 196.08535 141.2
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