CID 36832

2-ethyl-2-hydroxybutanenitrile

Structural Information

Molecular Formula
C6H11NO
SMILES
CCC(CC)(C#N)O
InChI
InChI=1S/C6H11NO/c1-3-6(8,4-2)5-7/h8H,3-4H2,1-2H3
InChIKey
QWJRZIUNOYNJIQ-UHFFFAOYSA-N
Compound name
2-ethyl-2-hydroxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

113.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.9
[M+Na]+ 136.07328 133.5
[M+NH4]+ 131.11788 128.3
[M+K]+ 152.04722 126.0
[M-H]- 112.07678 115.8
[M+Na-2H]- 134.05873 125.6
[M]+ 113.08351 122.0
[M]- 113.08461 122.0
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