CID 78961234

2287248-54-6

Structural Information

Molecular Formula
C7H10N2O
SMILES
C[C@@H](C1=CNC(=O)C=C1)N
InChI
InChI=1S/C7H10N2O/c1-5(8)6-2-3-7(10)9-4-6/h2-5H,8H2,1H3,(H,9,10)/t5-/m0/s1
InChIKey
MYLBRKFTWPKTNN-YFKPBYRVSA-N
Compound name
5-[(1S)-1-aminoethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.0
[M+Na]+ 161.06854 135.0
[M-H]- 137.07204 127.9
[M+NH4]+ 156.11314 146.3
[M+K]+ 177.04248 132.5
[M+H-H2O]+ 121.07658 121.0
[M+HCOO]- 183.07752 149.3
[M+CH3COO]- 197.09317 172.6
[M+Na-2H]- 159.05399 133.1
[M]+ 138.07877 123.5
[M]- 138.07987 123.5
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

No patent data available for this compound.