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]+ 240.114976 154.5
[M+Na]+ 262.096918 159.9
[M-H]- 238.100424 159.2
[M+NH4]+ 257.141523 169.9
[M+K]+ 278.070858 156.9
[M+H-H2O]+ 222.104960 146.9
[M+HCOO]- 284.105901 167.2
[M+CH3COO]- 298.121551 190.4
[M+Na-2H]- 260.082366 158.4
[M]+ 239.10715142 153.2
[M]- 239.10824858 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.