CID 205673

Brn 1112559

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1C2=CC=CC=C2OC(=O)N1CC#N
InChI
InChI=1S/C10H8N2O2/c11-5-6-12-7-8-3-1-2-4-9(8)14-10(12)13/h1-4H,6-7H2
InChIKey
MJCDPTXGBVZWID-UHFFFAOYSA-N
Compound name
2-(2-oxo-4H-1,3-benzoxazin-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 135.8
[M+Na]+ 211.04780 146.6
[M-H]- 187.05130 138.6
[M+NH4]+ 206.09240 152.1
[M+K]+ 227.02174 143.2
[M+H-H2O]+ 171.05584 122.5
[M+HCOO]- 233.05678 152.2
[M+CH3COO]- 247.07243 193.9
[M+Na-2H]- 209.03325 143.7
[M]+ 188.05803 130.9
[M]- 188.05913 130.9
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

No patent data available for this compound.