CID 20871795

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=C2C(=CC=C1)OCCN2
InChI
InChI=1S/C9H11NO/c1-7-3-2-4-8-9(7)10-5-6-11-8/h2-4,10H,5-6H2,1H3
InChIKey
ZMWCBDOFRHNVLA-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

149.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.7
[M+Na]+ 172.07328 143.4
[M+NH4]+ 167.11788 139.4
[M+K]+ 188.04722 136.7
[M-H]- 148.07678 133.5
[M+Na-2H]- 170.05873 136.1
[M]+ 149.08351 132.7
[M]- 149.08461 132.7
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