CID 566609

2,2-diethoxypropionitrile

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCOC(C)(C#N)OCC
InChI
InChI=1S/C7H13NO2/c1-4-9-7(3,6-8)10-5-2/h4-5H2,1-3H3
InChIKey
QPFCLGADWIWYFW-UHFFFAOYSA-N
Compound name
2,2-diethoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

143.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.1
[M+Na]+ 166.08386 138.1
[M-H]- 142.08736 130.2
[M+NH4]+ 161.12846 148.9
[M+K]+ 182.05780 138.8
[M+H-H2O]+ 126.09190 118.4
[M+HCOO]- 188.09284 148.4
[M+CH3COO]- 202.10849 188.6
[M+Na-2H]- 164.06931 136.3
[M]+ 143.09409 128.0
[M]- 143.09519 128.0
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