CID 59150154

1042973-68-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

164.09496 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.6
[M+Na]+ 187.08418 141.6
[M-H]- 163.08768 137.0
[M+NH4]+ 182.12878 152.5
[M+K]+ 203.05812 140.2
[M+H-H2O]+ 147.09222 126.9
[M+HCOO]- 209.09316 153.6
[M+CH3COO]- 223.10881 146.8
[M+Na-2H]- 185.06963 141.8
[M]+ 164.09441 131.1
[M]- 164.09551 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