CID 86594163

2-[2-(2-methoxyethoxy)ethoxy]acetonitrile

Structural Information

Molecular Formula
C7H13NO3
SMILES
COCCOCCOCC#N
InChI
InChI=1S/C7H13NO3/c1-9-4-5-11-7-6-10-3-2-8/h3-7H2,1H3
InChIKey
CFNZJUUPIZLFLS-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

159.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 127.3
[M+Na]+ 182.07876 135.9
[M-H]- 158.08226 128.0
[M+NH4]+ 177.12336 146.3
[M+K]+ 198.05270 136.6
[M+H-H2O]+ 142.08680 115.8
[M+HCOO]- 204.08774 148.2
[M+CH3COO]- 218.10339 190.1
[M+Na-2H]- 180.06421 134.3
[M]+ 159.08899 128.0
[M]- 159.09009 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

No literature data available for this compound.

Patent stripe

patents stripe