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]+ 237.086986 147.9
[M+Na]+ 259.068928 157.9
[M-H]- 235.072434 152.2
[M+NH4]+ 254.113533 165.6
[M+K]+ 275.042868 156.6
[M+H-H2O]+ 219.076970 141.1
[M+HCOO]- 281.077911 172.3
[M+CH3COO]- 295.093561 190.7
[M+Na-2H]- 257.054376 154.4
[M]+ 236.07916142 153.3
[M]- 236.08025858 153.3
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.