CID 487212

[[(1s)-1-formyl-3-methyl-butyl]amino] pyridine-3-carboxylate

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)C[C@@H](C=O)NOC(=O)C1=CN=CC=C1
InChI
InChI=1S/C12H16N2O3/c1-9(2)6-11(8-15)14-17-12(16)10-4-3-5-13-7-10/h3-5,7-9,11,14H,6H2,1-2H3/t11-/m0/s1
InChIKey
YEQLTFWIWYDZLL-NSHDSACASA-N
Compound name
[[(2S)-4-methyl-1-oxopentan-2-yl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.0
[M+Na]+ 259.10531 158.9
[M-H]- 235.10881 155.7
[M+NH4]+ 254.14991 169.6
[M+K]+ 275.07925 157.9
[M+H-H2O]+ 219.11335 146.2
[M+HCOO]- 281.11429 175.4
[M+CH3COO]- 295.12994 194.1
[M+Na-2H]- 257.09076 157.3
[M]+ 236.11554 155.6
[M]- 236.11664 155.6
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.