CID 368654

Nsc639771

Structural Information

Molecular Formula
C11H10N2O4Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CC(=O)NCC(=O)O
InChI
InChI=1S/C11H10N2O4Se/c14-9(12-5-10(15)16)6-13-11(17)7-3-1-2-4-8(7)18-13/h1-4H,5-6H2,(H,12,14)(H,15,16)
InChIKey
RVYKTILTSDYLKI-UHFFFAOYSA-N
Compound name
2-[[2-(3-oxo-1,2-benzoselenazol-2-yl)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.9806 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98788 163.1
[M+Na]+ 336.96982 171.4
[M-H]- 312.97332 165.2
[M+NH4]+ 332.01442 180.2
[M+K]+ 352.94376 168.1
[M+H-H2O]+ 296.97786 155.7
[M+HCOO]- 358.97880 185.6
[M+CH3COO]- 372.99445 194.2
[M+Na-2H]- 334.95527 166.5
[M]+ 313.98005 166.0
[M]- 313.98115 166.0
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.