CID 12729368

2-ethoxypropanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
CCOC(C)C#N
InChI
InChI=1S/C5H9NO/c1-3-7-5(2)4-6/h5H,3H2,1-2H3
InChIKey
SNJNVEVAILOJBB-UHFFFAOYSA-N
Compound name
2-ethoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

99.06841 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 116.8
[M+Na]+ 122.057628 126.1
[M-H]- 98.061134 118.0
[M+NH4]+ 117.102233 138.1
[M+K]+ 138.031568 126.7
[M+H-H2O]+ 82.065670 106.2
[M+HCOO]- 144.066611 137.0
[M+CH3COO]- 158.082261 181.9
[M+Na-2H]- 120.043076 123.4
[M]+ 99.06786142 113.6
[M]- 99.06895858 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe