CID 11062385

4-amino-6-methyl-2h-pyran-2-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=CC(=CC(=O)O1)N
InChI
InChI=1S/C6H7NO2/c1-4-2-5(7)3-6(8)9-4/h2-3H,7H2,1H3
InChIKey
ARDXSWUPBSFGCA-UHFFFAOYSA-N
Compound name
4-amino-6-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

125.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 120.4
[M+Na]+ 148.03689 133.7
[M+NH4]+ 143.08150 128.9
[M+K]+ 164.01083 128.5
[M-H]- 124.04040 124.2
[M+Na-2H]- 146.02234 127.3
[M]+ 125.04713 123.2
[M]- 125.04822 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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