CID 11126188

2-hydroxy-3-methylbutanenitrile

Structural Information

Molecular Formula
C5H9NO
SMILES
CC(C)C(C#N)O
InChI
InChI=1S/C5H9NO/c1-4(2)5(7)3-6/h4-5,7H,1-2H3
InChIKey
YRBPUNHOIVAUFA-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

99.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.9
[M+Na]+ 122.05763 129.4
[M+NH4]+ 117.10223 124.4
[M+K]+ 138.03157 122.4
[M-H]- 98.061134 112.0
[M+Na-2H]- 120.04308 121.3
[M]+ 99.067861 117.9
[M]- 99.068959 117.9
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