CID 7857

Glycolonitrile

Structural Information

Molecular Formula
C2H3NO
SMILES
C(C#N)O
InChI
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2
InChIKey
LTYRAPJYLUPLCI-UHFFFAOYSA-N
Compound name
2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

234
References

7662
Patents

57.021465 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 58.028741 105.1
[M+Na]+ 80.010683 115.4
[M-H]- 56.014189 105.5
[M+NH4]+ 75.055288 127.3
[M+K]+ 95.984623 115.5
[M+H-H2O]+ 40.018725 95.3
[M+HCOO]- 102.01967 125.7
[M+CH3COO]- 116.03532 170.5
[M+Na-2H]- 77.996131 113.8
[M]+ 57.020916 99.8
[M]- 57.022014 99.8
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