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]+ 152.070596 128.0
[M+Na]+ 174.052538 135.5
[M-H]- 150.056044 129.0
[M+NH4]+ 169.097143 146.2
[M+K]+ 190.026478 133.5
[M+H-H2O]+ 134.060580 122.1
[M+HCOO]- 196.061521 145.2
[M+CH3COO]- 210.077171 140.6
[M+Na-2H]- 172.037986 137.3
[M]+ 151.06277142 124.2
[M]- 151.06386858 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