CID 24844506

Methyl 3-(2-mercaptomethylpropionamido)picolinate

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CC(C)(C(=O)NC1=C(N=CC=C1)C(=O)OC)S
InChI
InChI=1S/C11H14N2O3S/c1-11(2,17)10(15)13-7-5-4-6-12-8(7)9(14)16-3/h4-6,17H,1-3H3,(H,13,15)
InChIKey
OPLNHZGEGMAXRC-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methyl-2-sulfanylpropanoyl)amino]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.07251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07979 156.4
[M+Na]+ 277.06173 163.2
[M-H]- 253.06523 158.9
[M+NH4]+ 272.10633 172.3
[M+K]+ 293.03567 161.3
[M+H-H2O]+ 237.06977 149.6
[M+HCOO]- 299.07071 172.1
[M+CH3COO]- 313.08636 194.8
[M+Na-2H]- 275.04718 158.8
[M]+ 254.07196 160.2
[M]- 254.07306 160.2
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