CID 54691808

61018-89-1

Structural Information

Molecular Formula
C11H13NO4
SMILES
C1CCC2=C(C(=CC(=O)N2CC1)O)C(=O)O
InChI
InChI=1S/C11H13NO4/c13-8-6-9(14)12-5-3-1-2-4-7(12)10(8)11(15)16/h6,13H,1-5H2,(H,15,16)
InChIKey
GLWMBNGLLSRWAG-UHFFFAOYSA-N
Compound name
2-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 141.9
[M+Na]+ 246.073678 148.2
[M-H]- 222.077184 144.1
[M+NH4]+ 241.118283 157.7
[M+K]+ 262.047618 150.3
[M+H-H2O]+ 206.081720 136.7
[M+HCOO]- 268.082661 158.3
[M+CH3COO]- 282.098311 185.8
[M+Na-2H]- 244.059126 146.2
[M]+ 223.08391142 137.4
[M]- 223.08500858 137.4
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.