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]+ 228.04221 144.8
[M+Na]+ 250.02415 155.3
[M-H]- 226.02765 149.8
[M+NH4]+ 245.06875 157.1
[M+K]+ 265.99809 150.5
[M+H-H2O]+ 210.03219 138.4
[M+HCOO]- 272.03313 162.1
[M+CH3COO]- 286.04878 188.2
[M+Na-2H]- 248.00960 149.3
[M]+ 227.03438 150.3
[M]- 227.03548 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.