CID 489183

98632-91-8

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1[C@H](C(=O)O1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H11NO4/c13-10-9(7-15-10)12-11(14)16-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m1/s1
InChIKey
CWFZPRQDHIUBDO-SECBINFHSA-N
Compound name
benzyl N-[(3R)-2-oxooxetan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

377
Patents

221.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 142.1
[M+Na]+ 244.05802 146.8
[M-H]- 220.06152 149.1
[M+NH4]+ 239.10262 152.0
[M+K]+ 260.03196 150.2
[M+H-H2O]+ 204.06606 129.5
[M+HCOO]- 266.06700 164.5
[M+CH3COO]- 280.08265 190.8
[M+Na-2H]- 242.04347 148.3
[M]+ 221.06825 152.1
[M]- 221.06935 152.1
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