CID 107506

N-benzyloxycarbonyl-l-glutamic anhydride

Structural Information

Molecular Formula

C₁₃H₁₃NO₅

SMILES

C1CC(=O)OC(=O)C1NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)19-11)14-13(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)

InChIKey

YIXAMRRMFCPXNC-UHFFFAOYSA-N

Compound name

benzyl N-(2,6-dioxooxan-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 263.07938 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.086656	155.8
[M+Na]+	286.068598	161.2
[M-H]-	262.072104	162.8
[M+NH4]+	281.113203	170.3
[M+K]+	302.042538	160.7
[M+H-H2O]+	246.076640	148.1
[M+HCOO]-	308.077581	177.0
[M+CH3COO]-	322.093231	195.1
[M+Na-2H]-	284.054046	160.3
[M]+	263.07883142	155.3
[M]-	263.07992858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe