CID 2763760

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1COC2=CC=CC=C2N1
InChI
InChI=1S/C9H11NO/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2-5,7,10H,6H2,1H3
InChIKey
BSDVKBWLRCKPFB-UHFFFAOYSA-N
Compound name
3-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

193
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

literature stripe

Patent stripe

patents stripe