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]+ 138.091336 127.2
[M+Na]+ 160.073278 134.8
[M-H]- 136.076784 130.5
[M+NH4]+ 155.117883 145.4
[M+K]+ 176.047218 133.5
[M+H-H2O]+ 120.081320 115.4
[M+HCOO]- 182.082261 143.4
[M+CH3COO]- 196.097911 185.7
[M+Na-2H]- 158.058726 132.9
[M]+ 137.08351142 118.8
[M]- 137.08460858 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.