CID 13055556

2-(2-hydroxyethoxy)acetonitrile

Structural Information

Molecular Formula
C4H7NO2
SMILES
C(COCC#N)O
InChI
InChI=1S/C4H7NO2/c5-1-3-7-4-2-6/h6H,2-4H2
InChIKey
DZCVUZSTUMKTHN-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

101.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 115.1
[M+Na]+ 124.03689 124.6
[M-H]- 100.04040 115.1
[M+NH4]+ 119.08150 135.7
[M+K]+ 140.01083 124.7
[M+H-H2O]+ 84.044936 104.7
[M+HCOO]- 146.04588 135.3
[M+CH3COO]- 160.06153 177.7
[M+Na-2H]- 122.02234 122.9
[M]+ 101.04713 111.8
[M]- 101.04822 111.8
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