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

52
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 124.7
[M+Na]+ 136.07328 133.7
[M-H]- 112.07678 124.7
[M+NH4]+ 131.11788 144.9
[M+K]+ 152.04722 133.4
[M+H-H2O]+ 96.081320 114.6
[M+HCOO]- 158.08226 142.6
[M+CH3COO]- 172.09791 181.6
[M+Na-2H]- 134.05873 131.6
[M]+ 113.08351 120.1
[M]- 113.08461 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