CID 135512723

(e)-(5,6-dihydro-1,4,2-dioxazin-3-yl)(2-hydroxyphenyl)methanone o-methyloxime

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CO/N=C(/C1=CC=CC=C1O)\C2=NOCCO2
InChI
InChI=1S/C11H12N2O4/c1-15-12-10(11-13-17-7-6-16-11)8-4-2-3-5-9(8)14/h2-5,14H,6-7H2,1H3/b12-10-
InChIKey
NGTOQTNVQSGXIS-BENRWUELSA-N
Compound name
2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

236.07971 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 151.0
[M+Na]+ 259.06893 157.0
[M-H]- 235.07243 157.4
[M+NH4]+ 254.11353 163.8
[M+K]+ 275.04287 157.9
[M+H-H2O]+ 219.07697 142.4
[M+HCOO]- 281.07791 171.4
[M+CH3COO]- 295.09356 190.4
[M+Na-2H]- 257.05438 158.7
[M]+ 236.07916 151.9
[M]- 236.08026 151.9
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

patents stripe