CID 12510545

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

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC2=C(C=C1)NCCO2
InChI
InChI=1S/C9H11NO/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10H,4-5H2,1H3
InChIKey
HHFJHCXBGHXHLU-UHFFFAOYSA-N
Compound name
7-methyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

149.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 129.0
[M+Na]+ 172.073278 136.5
[M-H]- 148.076784 131.2
[M+NH4]+ 167.117883 148.1
[M+K]+ 188.047218 134.7
[M+H-H2O]+ 132.081320 122.8
[M+HCOO]- 194.082261 147.2
[M+CH3COO]- 208.097911 142.0
[M+Na-2H]- 170.058726 138.2
[M]+ 149.08351142 125.9
[M]- 149.08460858 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