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]+ 282.16191 168.4
[M+Na]+ 304.14385 173.4
[M-H]- 280.14735 172.8
[M+NH4]+ 299.18845 182.3
[M+K]+ 320.11779 169.7
[M+H-H2O]+ 264.15189 160.4
[M+HCOO]- 326.15283 180.0
[M+CH3COO]- 340.16848 200.5
[M+Na-2H]- 302.12930 169.9
[M]+ 281.15408 168.5
[M]- 281.15518 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.