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]+ 212.08367 144.9
[M+Na]+ 234.06561 153.2
[M-H]- 210.06911 146.8
[M+NH4]+ 229.11021 162.6
[M+K]+ 250.03955 149.0
[M+H-H2O]+ 194.07365 139.0
[M+HCOO]- 256.07459 157.6
[M+CH3COO]- 270.09024 156.9
[M+Na-2H]- 232.05106 151.6
[M]+ 211.07584 144.8
[M]- 211.07694 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.