CID 68761338

4-methyl-3,4-dihydro-2h-1,4-benzoxazin-5-amine

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN1CCOC2=CC=CC(=C21)N
InChI
InChI=1S/C9H12N2O/c1-11-5-6-12-8-4-2-3-7(10)9(8)11/h2-4H,5-6,10H2,1H3
InChIKey
XPAGSUWRLQZFMD-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1,4-benzoxazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 133.6
[M+Na]+ 187.084178 141.6
[M-H]- 163.087684 137.0
[M+NH4]+ 182.128783 152.5
[M+K]+ 203.058118 140.2
[M+H-H2O]+ 147.092220 126.9
[M+HCOO]- 209.093161 153.6
[M+CH3COO]- 223.108811 146.8
[M+Na-2H]- 185.069626 141.8
[M]+ 164.09441142 131.1
[M]- 164.09550858 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