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

12
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 118.3
[M+Na]+ 124.03689 128.1
[M+NH4]+ 119.08150 122.6
[M+K]+ 140.01083 120.4
[M-H]- 100.04040 110.3
[M+Na-2H]- 122.02234 120.1
[M]+ 101.04713 116.3
[M]- 101.04822 116.3
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