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]+ 218.128776 148.5
[M+Na]+ 240.110718 158.4
[M-H]- 216.114224 150.3
[M+NH4]+ 235.155323 165.5
[M+K]+ 256.084658 154.0
[M+H-H2O]+ 200.118760 140.6
[M+HCOO]- 262.119701 170.1
[M+CH3COO]- 276.135351 192.1
[M+Na-2H]- 238.096166 155.6
[M]+ 217.12095142 149.5
[M]- 217.12204858 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.