CID 58001759

1198016-49-7

Structural Information

Molecular Formula
C8H8ClNO3
SMILES
COC(=O)C1=C(C=C(C=N1)CO)Cl
InChI
InChI=1S/C8H8ClNO3/c1-13-8(12)7-6(9)2-5(4-11)3-10-7/h2-3,11H,4H2,1H3
InChIKey
VPIOCRLBNUDYBP-UHFFFAOYSA-N
Compound name
methyl 3-chloro-5-(hydroxymethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

201.01927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02655 136.6
[M+Na]+ 224.00849 146.6
[M-H]- 200.01199 138.2
[M+NH4]+ 219.05309 155.1
[M+K]+ 239.98243 143.5
[M+H-H2O]+ 184.01653 131.4
[M+HCOO]- 246.01747 154.1
[M+CH3COO]- 260.03312 179.8
[M+Na-2H]- 221.99394 142.0
[M]+ 201.01872 140.4
[M]- 201.01982 140.4
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