CID 16244460

58960-11-5

Structural Information

Molecular Formula
C9H11NO2
SMILES
COC1=CC2=C(C=C1)OCCN2
InChI
InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3
InChIKey
XLJYIYIBJUWRLF-UHFFFAOYSA-N
Compound name
6-methoxy-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 132.1
[M+Na]+ 188.068198 139.5
[M-H]- 164.071704 134.3
[M+NH4]+ 183.112803 150.5
[M+K]+ 204.042138 138.2
[M+H-H2O]+ 148.076240 125.6
[M+HCOO]- 210.077181 150.5
[M+CH3COO]- 224.092831 174.6
[M+Na-2H]- 186.053646 141.3
[M]+ 165.07843142 130.5
[M]- 165.07952858 130.5
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