CID 72183193

2503205-31-8

Structural Information

Molecular Formula
C9H11NO2
SMILES
COC1=CC=CC2=C1NCCO2
InChI
InChI=1S/C9H11NO2/c1-11-7-3-2-4-8-9(7)10-5-6-12-8/h2-4,10H,5-6H2,1H3
InChIKey
RSZIXPXUSSGYQG-UHFFFAOYSA-N
Compound name
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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

No literature data available for this compound.

Patent stripe

patents stripe