CID 297294

1,3-benzodioxole, 5-methoxy-6-(2-oxazolin-2-ylamino)-

Structural Information

Molecular Formula
C11H12N2O4
SMILES
COC1=CC2=C(C=C1NC3=NCCO3)OCO2
InChI
InChI=1S/C11H12N2O4/c1-14-8-5-10-9(16-6-17-10)4-7(8)13-11-12-2-3-15-11/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKey
ZZJYHQMEAQTVPF-UHFFFAOYSA-N
Compound name
N-(6-methoxy-1,3-benzodioxol-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
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 147.6
[M+Na]+ 259.06893 155.6
[M-H]- 235.07243 156.1
[M+NH4]+ 254.11353 164.2
[M+K]+ 275.04287 157.3
[M+H-H2O]+ 219.07697 141.8
[M+HCOO]- 281.07791 169.1
[M+CH3COO]- 295.09356 161.2
[M+Na-2H]- 257.05438 154.1
[M]+ 236.07916 151.3
[M]- 236.08026 151.3
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.