CID 26120

13582-93-9

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1C(OC2=CC=CC=C2N1)C(=O)N
InChI
InChI=1S/C9H10N2O2/c10-9(12)8-5-11-6-3-1-2-4-7(6)13-8/h1-4,8,11H,5H2,(H2,10,12)
InChIKey
HFMCIPVAQHTOPB-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

37
Patents

178.07423 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.0
[M+Na]+ 201.06345 142.5
[M-H]- 177.06695 137.6
[M+NH4]+ 196.10805 153.0
[M+K]+ 217.03739 140.6
[M+H-H2O]+ 161.07149 129.3
[M+HCOO]- 223.07243 153.9
[M+CH3COO]- 237.08808 179.1
[M+Na-2H]- 199.04890 143.3
[M]+ 178.07368 131.3
[M]- 178.07478 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe