CID 90451

3-(2-hydroxyethoxy)propanenitrile

Structural Information

Molecular Formula
C5H9NO2
SMILES
C(COCCO)C#N
InChI
InChI=1S/C5H9NO2/c6-2-1-4-8-5-3-7/h7H,1,3-5H2
InChIKey
QNCFKOUSIIQMMI-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

115.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.3
[M+Na]+ 138.05255 131.9
[M+NH4]+ 133.09715 126.5
[M+K]+ 154.02649 124.0
[M-H]- 114.05605 114.2
[M+Na-2H]- 136.03800 123.9
[M]+ 115.06278 120.3
[M]- 115.06388 120.3
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