CID 21859611

4-nitroso-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1COC2=CC=CC=C2N1N=O
InChI
InChI=1S/C8H8N2O2/c11-9-10-5-6-12-8-4-2-1-3-7(8)10/h1-4H,5-6H2
InChIKey
UBNHYVLVDRHLLL-UHFFFAOYSA-N
Compound name
4-nitroso-2,3-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

164.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 129.1
[M+Na]+ 187.047798 137.1
[M-H]- 163.051304 134.2
[M+NH4]+ 182.092403 148.4
[M+K]+ 203.021738 137.2
[M+H-H2O]+ 147.055840 121.9
[M+HCOO]- 209.056781 152.0
[M+CH3COO]- 223.072431 180.8
[M+Na-2H]- 185.033246 140.2
[M]+ 164.05803142 129.4
[M]- 164.05912858 129.4
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