CID 55035

83522-09-2

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]+ 189.10224 142.9
[M+Na]+ 211.08418 155.2
[M+NH4]+ 206.12878 148.1
[M+K]+ 227.05812 147.3
[M-H]- 187.08768 139.8
[M+Na-2H]- 209.06963 146.9
[M]+ 188.09441 143.0
[M]- 188.09551 143.0
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.