CID 117709

26021-57-8

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1COC2=C(N1)C=C(C=C2)O
InChI
InChI=1S/C8H9NO2/c10-6-1-2-8-7(5-6)9-3-4-11-8/h1-2,5,9-10H,3-4H2
InChIKey
HWWIVWKTKZAORO-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-6-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7472
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

literature stripe

Patent stripe

patents stripe