CID 55035

4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile

Structural Information

Molecular Formula
C11H12N2O
SMILES
CN1CCOC1C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H12N2O/c1-13-6-7-14-11(13)10-4-2-9(8-12)3-5-10/h2-5,11H,6-7H2,1H3
InChIKey
NTSPYEPVJAJWIJ-UHFFFAOYSA-N
Compound name
4-(3-methyl-1,3-oxazolidin-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 138.4
[M+Na]+ 211.084178 148.5
[M-H]- 187.087684 142.9
[M+NH4]+ 206.128783 155.2
[M+K]+ 227.058118 145.2
[M+H-H2O]+ 171.092220 124.6
[M+HCOO]- 233.093161 156.2
[M+CH3COO]- 247.108811 150.4
[M+Na-2H]- 209.069626 142.8
[M]+ 188.09441142 132.5
[M]- 188.09550858 132.5
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.