CID 15077410

2-(2-methoxyethoxy)acetonitrile

Structural Information

Molecular Formula
C5H9NO2
SMILES
COCCOCC#N
InChI
InChI=1S/C5H9NO2/c1-7-4-5-8-3-2-6/h3-5H2,1H3
InChIKey
KCHALGCHIHJRFX-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

115.06333 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 117.4
[M+Na]+ 138.052548 126.9
[M-H]- 114.056054 118.5
[M+NH4]+ 133.097153 138.1
[M+K]+ 154.026488 127.6
[M+H-H2O]+ 98.060590 106.6
[M+HCOO]- 160.061531 138.7
[M+CH3COO]- 174.077181 182.9
[M+Na-2H]- 136.037996 125.3
[M]+ 115.06278142 116.2
[M]- 115.06387858 116.2
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