CID 135512723

Refchem:406224

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

52
Patents

236.07971 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 151.0
[M+Na]+ 259.068928 157.0
[M-H]- 235.072434 157.4
[M+NH4]+ 254.113533 163.8
[M+K]+ 275.042868 157.9
[M+H-H2O]+ 219.076970 142.4
[M+HCOO]- 281.077911 171.4
[M+CH3COO]- 295.093561 190.4
[M+Na-2H]- 257.054376 158.7
[M]+ 236.07916142 151.9
[M]- 236.08025858 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