CID 3056571

H 1730

Structural Information

Molecular Formula
C16H24ClNO
SMILES
CCCC1N(CCCO1)C(CC)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H24ClNO/c1-3-6-16-18(11-5-12-19-16)15(4-2)13-7-9-14(17)10-8-13/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKey
SMCZHPFTNDKFMV-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)propyl]-2-propyl-1,3-oxazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15463 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.161906 168.4
[M+Na]+ 304.143848 173.4
[M-H]- 280.147354 172.8
[M+NH4]+ 299.188453 182.3
[M+K]+ 320.117788 169.7
[M+H-H2O]+ 264.151890 160.4
[M+HCOO]- 326.152831 180.0
[M+CH3COO]- 340.168481 200.5
[M+Na-2H]- 302.129296 169.9
[M]+ 281.15408142 168.5
[M]- 281.15517858 168.5
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.