CID 3056569

H 1737

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCC(C1=CC=C(C=C1)Cl)N2CCCOC2
InChI
InChI=1S/C13H18ClNO/c1-2-13(15-8-3-9-16-10-15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKey
BIKHGBDPVQZCSU-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)propyl]-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.5
[M+Na]+ 262.09692 159.9
[M-H]- 238.10042 159.2
[M+NH4]+ 257.14152 169.9
[M+K]+ 278.07086 156.9
[M+H-H2O]+ 222.10496 146.9
[M+HCOO]- 284.10590 167.2
[M+CH3COO]- 298.12155 190.4
[M+Na-2H]- 260.08237 158.4
[M]+ 239.10715 153.2
[M]- 239.10825 153.2
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.