CID 95351

3-(oxolan-2-ylmethoxy)propanenitrile

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC(OC1)COCCC#N
InChI
InChI=1S/C8H13NO2/c9-4-2-5-10-7-8-3-1-6-11-8/h8H,1-3,5-7H2
InChIKey
SXCCMCCJGSXUML-UHFFFAOYSA-N
Compound name
3-(oxolan-2-ylmethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 128.8
[M+Na]+ 178.083858 137.1
[M-H]- 154.087364 132.0
[M+NH4]+ 173.128463 148.0
[M+K]+ 194.057798 136.4
[M+H-H2O]+ 138.091900 116.7
[M+HCOO]- 200.092841 147.8
[M+CH3COO]- 214.108491 187.3
[M+Na-2H]- 176.069306 134.6
[M]+ 155.09409142 124.8
[M]- 155.09518858 124.8
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

patents stripe