CID 30887

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

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CN1CC2=C(CO1)C=CC(=C2)Cl
InChI
InChI=1S/C9H10ClNO/c1-11-5-8-4-9(10)3-2-7(8)6-12-11/h2-4H,5-6H2,1H3
InChIKey
GUSWHRCHZVQFKH-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.04509 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 134.9
[M+Na]+ 206.034308 144.5
[M-H]- 182.037814 138.6
[M+NH4]+ 201.078913 154.5
[M+K]+ 222.008248 141.8
[M+H-H2O]+ 166.042350 129.1
[M+HCOO]- 228.043291 149.8
[M+CH3COO]- 242.058941 148.5
[M+Na-2H]- 204.019756 143.3
[M]+ 183.04454142 136.0
[M]- 183.04563858 136.0
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

No patent data available for this compound.