CID 58710608

1896402-90-6

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1COC2=C(N1)C=C(C=C2)CN
InChI
InChI=1S/C9H12N2O/c10-6-7-1-2-9-8(5-7)11-3-4-12-9/h1-2,5,11H,3-4,6,10H2
InChIKey
AWMFWEPHGJKMBR-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

164.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 133.5
[M+Na]+ 187.084178 140.1
[M-H]- 163.087684 135.1
[M+NH4]+ 182.128783 151.3
[M+K]+ 203.058118 137.8
[M+H-H2O]+ 147.092220 126.8
[M+HCOO]- 209.093161 152.0
[M+CH3COO]- 223.108811 145.6
[M+Na-2H]- 185.069626 142.0
[M]+ 164.09441142 128.7
[M]- 164.09550858 128.7
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