CID 26875

3-methyl-3,4-dihydro-1h-2,3-benzoxazine

Structural Information

Molecular Formula
C9H11NO
SMILES
CN1CC2=CC=CC=C2CO1
InChI
InChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)7-11-10/h2-5H,6-7H2,1H3
InChIKey
SBPYEMSKGZSEGI-UHFFFAOYSA-N
Compound name
3-methyl-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

149.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.3
[M+Na]+ 172.073278 136.2
[M-H]- 148.076784 132.0
[M+NH4]+ 167.117883 148.1
[M+K]+ 188.047218 135.4
[M+H-H2O]+ 132.081320 121.8
[M+HCOO]- 194.082261 148.0
[M+CH3COO]- 208.097911 142.1
[M+Na-2H]- 170.058726 138.0
[M]+ 149.08351142 127.1
[M]- 149.08460858 127.1
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