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
3
Annotation Hits

0
References

59
Patents

113.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.7
[M+Na]+ 136.073278 133.7
[M-H]- 112.076784 124.7
[M+NH4]+ 131.117883 144.9
[M+K]+ 152.047218 133.4
[M+H-H2O]+ 96.081320 114.6
[M+HCOO]- 158.082261 142.6
[M+CH3COO]- 172.097911 181.6
[M+Na-2H]- 134.058726 131.6
[M]+ 113.08351142 120.1
[M]- 113.08460858 120.1
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