CID 116843168

2-(oxan-4-yl)prop-2-enenitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C=C(C#N)C1CCOCC1
InChI
InChI=1S/C8H11NO/c1-7(6-9)8-2-4-10-5-3-8/h8H,1-5H2
InChIKey
LXQCROVTYBCURP-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 133.3
[M+Na]+ 160.07328 143.7
[M+NH4]+ 155.11788 138.5
[M+K]+ 176.04722 135.0
[M-H]- 136.07678 128.9
[M+Na-2H]- 158.05873 135.5
[M]+ 137.08351 132.6
[M]- 137.08461 132.6
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.