CID 122588

3-methyl-3,4-dihydro-2h-benzo[e][1,3]oxazine

Structural Information

Molecular Formula
C9H11NO
SMILES
CN1CC2=CC=CC=C2OC1
InChI
InChI=1S/C9H11NO/c1-10-6-8-4-2-3-5-9(8)11-7-10/h2-5H,6-7H2,1H3
InChIKey
ZZLHZRRZJWMQOL-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dihydro-1,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

149.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.3
[M+Na]+ 172.073278 136.2
[M-H]- 148.076784 132.0
[M+NH4]+ 167.117883 148.1
[M+K]+ 188.047218 135.4
[M+H-H2O]+ 132.081320 121.8
[M+HCOO]- 194.082261 148.0
[M+CH3COO]- 208.097911 142.1
[M+Na-2H]- 170.058726 138.0
[M]+ 149.08351142 127.1
[M]- 149.08460858 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

literature stripe

Patent stripe

patents stripe