CID 89692

3-[2-(dimethylamino)ethoxy]propanenitrile

Structural Information

Molecular Formula
C7H14N2O
SMILES
CN(C)CCOCCC#N
InChI
InChI=1S/C7H14N2O/c1-9(2)5-7-10-6-3-4-8/h3,5-7H2,1-2H3
InChIKey
MNAXYNVBGBASIG-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

142.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 128.2
[M+Na]+ 165.099828 136.1
[M-H]- 141.103334 130.1
[M+NH4]+ 160.144433 148.1
[M+K]+ 181.073768 137.2
[M+H-H2O]+ 125.107870 116.4
[M+HCOO]- 187.108811 149.9
[M+CH3COO]- 201.124461 194.1
[M+Na-2H]- 163.085276 134.3
[M]+ 142.11006142 126.6
[M]- 142.11115858 126.6
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