CID 23602282

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

Structural Information

Molecular Formula
C11H14ClNO
SMILES
CCCC1CNC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C11H14ClNO/c1-2-3-9-7-13-10-6-8(12)4-5-11(10)14-9/h4-6,9,13H,2-3,7H2,1H3
InChIKey
WWZODEQNNONCHT-UHFFFAOYSA-N
Compound name
6-chloro-2-propyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.083666 144.9
[M+Na]+ 234.065608 153.2
[M-H]- 210.069114 146.8
[M+NH4]+ 229.110213 162.6
[M+K]+ 250.039548 149.0
[M+H-H2O]+ 194.073650 139.0
[M+HCOO]- 256.074591 157.6
[M+CH3COO]- 270.090241 156.9
[M+Na-2H]- 232.051056 151.6
[M]+ 211.07584142 144.8
[M]- 211.07693858 144.8
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.