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 138.4
[M+Na]+ 211.08418 148.5
[M-H]- 187.08768 142.9
[M+NH4]+ 206.12878 155.2
[M+K]+ 227.05812 145.2
[M+H-H2O]+ 171.09222 124.6
[M+HCOO]- 233.09316 156.2
[M+CH3COO]- 247.10881 150.4
[M+Na-2H]- 209.06963 142.8
[M]+ 188.09441 132.5
[M]- 188.09551 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.