CID 30454

21038-14-2

Structural Information

Molecular Formula
C9H10ClNO
SMILES
CN1CC2=C(CO1)C=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO/c1-11-5-7-2-3-9(10)4-8(7)6-12-11/h2-4H,5-6H2,1H3
InChIKey
IKGDGLRBESDXOX-UHFFFAOYSA-N
Compound name
7-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]+ 184.05237 134.9
[M+Na]+ 206.03431 144.5
[M-H]- 182.03781 138.6
[M+NH4]+ 201.07891 154.5
[M+K]+ 222.00825 141.8
[M+H-H2O]+ 166.04235 129.1
[M+HCOO]- 228.04329 149.8
[M+CH3COO]- 242.05894 148.5
[M+Na-2H]- 204.01976 143.3
[M]+ 183.04454 136.0
[M]- 183.04564 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.