CID 8011

3-hydroxypropionitrile

Structural Information

Molecular Formula
C3H5NO
SMILES
C(CO)C#N
InChI
InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2
InChIKey
WSGYTJNNHPZFKR-UHFFFAOYSA-N
Compound name
3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

345
References

14159
Patents

71.03712 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 111.5
[M+Na]+ 94.026338 121.9
[M+NH4]+ 89.070943 116.6
[M+K]+ 110.00028 114.0
[M-H]- 70.029844 104.1
[M+Na-2H]- 92.011786 114.1
[M]+ 71.036571 109.9
[M]- 71.037669 109.9
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