CID 29949697

3,4-dihydro-2h-1,4-benzoxazin-8-ol hydrochloride

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1COC2=C(N1)C=CC=C2O
InChI
InChI=1S/C8H9NO2/c10-7-3-1-2-6-8(7)11-5-4-9-6/h1-3,9-10H,4-5H2
InChIKey
CCRWZANKPSYLKJ-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.0
[M+Na]+ 174.05254 135.5
[M-H]- 150.05604 129.0
[M+NH4]+ 169.09714 146.2
[M+K]+ 190.02648 133.5
[M+H-H2O]+ 134.06058 122.1
[M+HCOO]- 196.06152 145.2
[M+CH3COO]- 210.07717 140.6
[M+Na-2H]- 172.03799 137.3
[M]+ 151.06277 124.2
[M]- 151.06387 124.2
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