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 127.2
[M+Na]+ 160.07328 134.8
[M-H]- 136.07678 130.5
[M+NH4]+ 155.11788 145.4
[M+K]+ 176.04722 133.5
[M+H-H2O]+ 120.08132 115.4
[M+HCOO]- 182.08226 143.4
[M+CH3COO]- 196.09791 185.7
[M+Na-2H]- 158.05873 132.9
[M]+ 137.08351 118.8
[M]- 137.08461 118.8
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.