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]+ 165.06586 129.1
[M+Na]+ 187.04780 137.1
[M-H]- 163.05130 134.2
[M+NH4]+ 182.09240 148.4
[M+K]+ 203.02174 137.2
[M+H-H2O]+ 147.05584 121.9
[M+HCOO]- 209.05678 152.0
[M+CH3COO]- 223.07243 180.8
[M+Na-2H]- 185.03325 140.2
[M]+ 164.05803 129.4
[M]- 164.05913 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