CID 26875

14764-25-1

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]+ 150.09134 128.3
[M+Na]+ 172.07328 136.2
[M-H]- 148.07678 132.0
[M+NH4]+ 167.11788 148.1
[M+K]+ 188.04722 135.4
[M+H-H2O]+ 132.08132 121.8
[M+HCOO]- 194.08226 148.0
[M+CH3COO]- 208.09791 142.1
[M+Na-2H]- 170.05873 138.0
[M]+ 149.08351 127.1
[M]- 149.08461 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