CID 68599267

119095-00-0

Structural Information

Molecular Formula
C9H11NO2
SMILES
CN1CCOC2=C1C=CC(=C2)O
InChI
InChI=1S/C9H11NO2/c1-10-4-5-12-9-6-7(11)2-3-8(9)10/h2-3,6,11H,4-5H2,1H3
InChIKey
HQPAKPUZWRXNQS-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1,4-benzoxazin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

165.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 132.3
[M+Na]+ 188.068198 140.6
[M-H]- 164.071704 134.9
[M+NH4]+ 183.112803 151.0
[M+K]+ 204.042138 139.4
[M+H-H2O]+ 148.076240 126.1
[M+HCOO]- 210.077181 150.6
[M+CH3COO]- 224.092831 175.7
[M+Na-2H]- 186.053646 140.8
[M]+ 165.07843142 131.1
[M]- 165.07952858 131.1
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