CID 10396977

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1CNC2=CC=CC=C2O1
InChI
InChI=1S/C9H11NO/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-5,7,10H,6H2,1H3
InChIKey
YKPYSZOCOIUSEZ-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

149.08406 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe