CID 697922

87219-29-2

Structural Information

Molecular Formula
C12H13NO4
SMILES
C1[C@@H](COC1=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKey
BNIBNUOPVTZWRT-JTQLQIEISA-N
Compound name
benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

270
Patents

235.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 152.1
[M+Na]+ 258.07368 161.8
[M+NH4]+ 253.11828 159.0
[M+K]+ 274.04762 158.9
[M-H]- 234.07718 155.7
[M+Na-2H]- 256.05913 157.1
[M]+ 235.08391 154.1
[M]- 235.08501 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe