CID 62374528

1427378-55-9

Structural Information

Molecular Formula
C12H15N3O
SMILES
CC1=NC2=CC=CC=C2N(C1=O)CCCN
InChI
InChI=1S/C12H15N3O/c1-9-12(16)15(8-4-7-13)11-6-3-2-5-10(11)14-9/h2-3,5-6H,4,7-8,13H2,1H3
InChIKey
XQIIXIYJSHCQTR-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)-3-methylquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.5
[M+Na]+ 240.11072 158.4
[M-H]- 216.11422 150.3
[M+NH4]+ 235.15532 165.5
[M+K]+ 256.08466 154.0
[M+H-H2O]+ 200.11876 140.6
[M+HCOO]- 262.11970 170.1
[M+CH3COO]- 276.13535 192.1
[M+Na-2H]- 238.09617 155.6
[M]+ 217.12095 149.5
[M]- 217.12205 149.5
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.