CID 15664012

L-pyridosine

Structural Information

Molecular Formula
C12H18N2O4
SMILES
CC1=CC(=O)C(=CN1CCCCC(C(=O)O)N)O
InChI
InChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)
InChIKey
HNGPZFLHRXCYGZ-UHFFFAOYSA-N
Compound name
2-amino-6-(5-hydroxy-2-methyl-4-oxopyridin-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

254.12666 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13394 157.3
[M+Na]+ 277.11588 164.2
[M-H]- 253.11938 156.7
[M+NH4]+ 272.16048 171.3
[M+K]+ 293.08982 161.4
[M+H-H2O]+ 237.12392 150.4
[M+HCOO]- 299.12486 176.1
[M+CH3COO]- 313.14051 194.6
[M+Na-2H]- 275.10133 157.6
[M]+ 254.12611 157.5
[M]- 254.12721 157.5
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