CID 84064074

2-(oxan-2-yl)propanenitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
CC(C#N)C1CCCCO1
InChI
InChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3
InChIKey
BDIHDNOMSMMYTL-UHFFFAOYSA-N
Compound name
2-(oxan-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 127.3
[M+Na]+ 162.088938 134.6
[M-H]- 138.092444 130.5
[M+NH4]+ 157.133543 145.5
[M+K]+ 178.062878 133.9
[M+H-H2O]+ 122.096980 115.5
[M+HCOO]- 184.097921 143.3
[M+CH3COO]- 198.113571 186.5
[M+Na-2H]- 160.074386 133.0
[M]+ 139.09917142 119.5
[M]- 139.10026858 119.5
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.