CID 649409

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC2=C(C=C1)OCCN2
InChI
InChI=1S/C9H11NO/c1-7-2-3-9-8(6-7)10-4-5-11-9/h2-3,6,10H,4-5H2,1H3
InChIKey
VKWQSTIJYWQSAL-UHFFFAOYSA-N
Compound name
6-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

407
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 129.0
[M+Na]+ 172.07328 136.5
[M-H]- 148.07678 131.2
[M+NH4]+ 167.11788 148.1
[M+K]+ 188.04722 134.7
[M+H-H2O]+ 132.08132 122.8
[M+HCOO]- 194.08226 147.2
[M+CH3COO]- 208.09791 142.0
[M+Na-2H]- 170.05873 138.2
[M]+ 149.08351 125.9
[M]- 149.08461 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe