CID 20117994

1016512-02-9

Structural Information

Molecular Formula
C8H12N2O2
SMILES
COCCN1C=C(C=CC1=O)N
InChI
InChI=1S/C8H12N2O2/c1-12-5-4-10-6-7(9)2-3-8(10)11/h2-3,6H,4-5,9H2,1H3
InChIKey
JREWZUYKAWPEOB-UHFFFAOYSA-N
Compound name
5-amino-1-(2-methoxyethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.097146 133.2
[M+Na]+ 191.079088 142.3
[M-H]- 167.082594 135.6
[M+NH4]+ 186.123693 152.4
[M+K]+ 207.053028 140.5
[M+H-H2O]+ 151.087130 126.6
[M+HCOO]- 213.088071 157.9
[M+CH3COO]- 227.103721 180.6
[M+Na-2H]- 189.064536 139.8
[M]+ 168.08932142 134.5
[M]- 168.09041858 134.5
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