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

6
Patents

165.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.1
[M+Na]+ 188.06820 139.5
[M-H]- 164.07170 134.3
[M+NH4]+ 183.11280 150.5
[M+K]+ 204.04214 138.2
[M+H-H2O]+ 148.07624 125.6
[M+HCOO]- 210.07718 150.5
[M+CH3COO]- 224.09283 174.6
[M+Na-2H]- 186.05365 141.3
[M]+ 165.07843 130.5
[M]- 165.07953 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