CID 585096

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

Structural Information

Molecular Formula
C8H9NO
SMILES
C1COC2=CC=CC=C2N1
InChI
InChI=1S/C8H9NO/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9H,5-6H2
InChIKey
YRLORWPBJZEGBX-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

23874
Patents

135.06842 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.1
[M+Na]+ 158.057638 131.1
[M-H]- 134.061144 126.1
[M+NH4]+ 153.102243 143.4
[M+K]+ 174.031578 129.5
[M+H-H2O]+ 118.065680 117.9
[M+HCOO]- 180.066621 142.6
[M+CH3COO]- 194.082271 137.2
[M+Na-2H]- 156.043086 134.6
[M]+ 135.06787142 120.3
[M]- 135.06896858 120.3
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