CID 3056414

H 273

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CCCC(C1=CC=C(C=C1)Cl)N2CCOC2
InChI
InChI=1S/C13H18ClNO/c1-2-3-13(15-8-9-16-10-15)11-4-6-12(14)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKey
VHOHRRRCZRFJBJ-UHFFFAOYSA-N
Compound name
3-[1-(4-chlorophenyl)butyl]-1,3-oxazolidine
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 155.8
[M+Na]+ 262.09692 162.2
[M-H]- 238.10042 160.8
[M+NH4]+ 257.14152 173.1
[M+K]+ 278.07086 159.0
[M+H-H2O]+ 222.10496 148.7
[M+HCOO]- 284.10590 170.6
[M+CH3COO]- 298.12155 190.0
[M+Na-2H]- 260.08237 157.9
[M]+ 239.10715 156.6
[M]- 239.10825 156.6
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.