CID 86336701

2227727-27-5

Structural Information

Molecular Formula
C9H11NO3
SMILES
C[C@@H](C1=NC=C(C=C1)C(=O)OC)O
InChI
InChI=1S/C9H11NO3/c1-6(11)8-4-3-7(5-10-8)9(12)13-2/h3-6,11H,1-2H3/t6-/m0/s1
InChIKey
WFHRYERYXBQXEL-LURJTMIESA-N
Compound name
methyl 6-[(1S)-1-hydroxyethyl]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.0
[M+Na]+ 204.06312 144.7
[M-H]- 180.06662 138.3
[M+NH4]+ 199.10772 155.1
[M+K]+ 220.03706 143.8
[M+H-H2O]+ 164.07116 130.8
[M+HCOO]- 226.07210 157.8
[M+CH3COO]- 240.08775 178.7
[M+Na-2H]- 202.04857 141.7
[M]+ 181.07335 138.3
[M]- 181.07445 138.3
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.