CID 28491317

3-chloro-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C1CC1COC2=NC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H10ClNO3/c11-7-3-4-8(12-9(7)10(13)14)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
SBSICDYGNMASIM-UHFFFAOYSA-N
Compound name
3-chloro-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03493 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.042206 144.8
[M+Na]+ 250.024148 155.3
[M-H]- 226.027654 149.8
[M+NH4]+ 245.068753 157.1
[M+K]+ 265.998088 150.5
[M+H-H2O]+ 210.032190 138.4
[M+HCOO]- 272.033131 162.1
[M+CH3COO]- 286.048781 188.2
[M+Na-2H]- 248.009596 149.3
[M]+ 227.03438142 150.3
[M]- 227.03547858 150.3
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.