CID 59478753

6-(2-aminoethyl)-1,2-dihydropyridin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=CC(=O)NC(=C1)CCN
InChI
InChI=1S/C7H10N2O/c8-5-4-6-2-1-3-7(10)9-6/h1-3H,4-5,8H2,(H,9,10)
InChIKey
LTSWWWJXVRGBNB-UHFFFAOYSA-N
Compound name
6-(2-aminoethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

138.07932 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.5
[M+Na]+ 161.068538 134.7
[M-H]- 137.072044 127.2
[M+NH4]+ 156.113143 145.8
[M+K]+ 177.042478 131.7
[M+H-H2O]+ 121.076580 120.4
[M+HCOO]- 183.077521 149.7
[M+CH3COO]- 197.093171 171.7
[M+Na-2H]- 159.053986 133.8
[M]+ 138.07877142 123.6
[M]- 138.07986858 123.6
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

patents stripe