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]+ 303.170336 166.6
[M+Na]+ 325.152278 175.0
[M-H]- 301.155784 170.5
[M+NH4]+ 320.196883 179.2
[M+K]+ 341.126218 171.1
[M+H-H2O]+ 285.160320 151.7
[M+HCOO]- 347.161261 183.1
[M+CH3COO]- 361.176911 214.0
[M+Na-2H]- 323.137726 167.6
[M]+ 302.16251142 164.9
[M]- 302.16360858 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.