CID 209183

19420-40-7

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCCOC(=O)N
InChI
InChI=1S/C11H12N2O4/c12-10(14)16-7-3-6-13-8-4-1-2-5-9(8)17-11(13)15/h1-2,4-5H,3,6-7H2,(H2,12,14)
InChIKey
VODSBZGECUUVAS-UHFFFAOYSA-N
Compound name
3-(2-oxo-1,3-benzoxazol-3-yl)propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 148.9
[M+Na]+ 259.06893 160.4
[M+NH4]+ 254.11353 155.2
[M+K]+ 275.04287 157.8
[M-H]- 235.07243 150.5
[M+Na-2H]- 257.05438 152.9
[M]+ 236.07916 150.7
[M]- 236.08026 150.7
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.