CID 3070410

4-(5-(methoxymethyl)-2-oxo-3-oxazolidinyl)benzenehexanenitrile

Structural Information

Molecular Formula
C17H22N2O3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)CCCCCC#N
InChI
InChI=1S/C17H22N2O3/c1-21-13-16-12-19(17(20)22-16)15-9-7-14(8-10-15)6-4-2-3-5-11-18/h7-10,16H,2-6,12-13H2,1H3
InChIKey
OJOJVAJFWANXFO-UHFFFAOYSA-N
Compound name
6-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]hexanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 166.6
[M+Na]+ 325.15228 175.0
[M-H]- 301.15578 170.5
[M+NH4]+ 320.19688 179.2
[M+K]+ 341.12622 171.1
[M+H-H2O]+ 285.16032 151.7
[M+HCOO]- 347.16126 183.1
[M+CH3COO]- 361.17691 214.0
[M+Na-2H]- 323.13773 167.6
[M]+ 302.16251 164.9
[M]- 302.16361 164.9
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.