CID 89693

22397-31-5

Structural Information

Molecular Formula
C10H16N2O3
SMILES
C(COCCOCCOCCC#N)C#N
InChI
InChI=1S/C10H16N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-2,5-10H2
InChIKey
XEICSQLBXZSODE-UHFFFAOYSA-N
Compound name
3-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

338
Patents

212.11609 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 168.5
[M+Na]+ 235.10531 174.9
[M+NH4]+ 230.14991 168.1
[M+K]+ 251.07925 165.0
[M-H]- 211.10881 156.6
[M+Na-2H]- 233.09076 165.8
[M]+ 212.11554 164.6
[M]- 212.11664 164.6
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