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

12
Patents

164.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 133.5
[M+Na]+ 187.08418 140.1
[M-H]- 163.08768 135.1
[M+NH4]+ 182.12878 151.3
[M+K]+ 203.05812 137.8
[M+H-H2O]+ 147.09222 126.8
[M+HCOO]- 209.09316 152.0
[M+CH3COO]- 223.10881 145.6
[M+Na-2H]- 185.06963 142.0
[M]+ 164.09441 128.7
[M]- 164.09551 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