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

43
Patents

263.07938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 157.4
[M+Na]+ 286.06860 168.0
[M+NH4]+ 281.11320 163.5
[M+K]+ 302.04254 163.4
[M-H]- 262.07210 161.1
[M+Na-2H]- 284.05405 162.5
[M]+ 263.07883 159.5
[M]- 263.07993 159.5
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

patents stripe