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]+ 240.114976 155.8
[M+Na]+ 262.096918 162.2
[M-H]- 238.100424 160.8
[M+NH4]+ 257.141523 173.1
[M+K]+ 278.070858 159.0
[M+H-H2O]+ 222.104960 148.7
[M+HCOO]- 284.105901 170.6
[M+CH3COO]- 298.121551 190.0
[M+Na-2H]- 260.082366 157.9
[M]+ 239.10715142 156.6
[M]- 239.10824858 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.