CID 211840

23598-93-8

Structural Information

Molecular Formula
C14H14ClNO3
SMILES
CC1=C(C=C(C=C1)N2CC(OC2=O)COCC#C)Cl
InChI
InChI=1S/C14H14ClNO3/c1-3-6-18-9-12-8-16(14(17)19-12)11-5-4-10(2)13(15)7-11/h1,4-5,7,12H,6,8-9H2,2H3
InChIKey
VZNGWWPNGJWTDQ-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylphenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06622 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07350 157.5
[M+Na]+ 302.05544 169.4
[M-H]- 278.05894 161.2
[M+NH4]+ 297.10004 171.9
[M+K]+ 318.02938 163.6
[M+H-H2O]+ 262.06348 144.7
[M+HCOO]- 324.06442 168.6
[M+CH3COO]- 338.08007 203.7
[M+Na-2H]- 300.04089 158.2
[M]+ 279.06567 156.0
[M]- 279.06677 156.0
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.