CID 79129734

2-ethyl-3-hydroxy-2,3-dimethylbutanenitrile

Structural Information

Molecular Formula
C8H15NO
SMILES
CCC(C)(C#N)C(C)(C)O
InChI
InChI=1S/C8H15NO/c1-5-8(4,6-9)7(2,3)10/h10H,5H2,1-4H3
InChIKey
GSBHUJVXPIRAEC-UHFFFAOYSA-N
Compound name
2-ethyl-3-hydroxy-2,3-dimethylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 135.4
[M+Na]+ 164.104588 144.0
[M-H]- 140.108094 135.5
[M+NH4]+ 159.149193 154.7
[M+K]+ 180.078528 143.7
[M+H-H2O]+ 124.112630 125.6
[M+HCOO]- 186.113571 151.3
[M+CH3COO]- 200.129221 187.5
[M+Na-2H]- 162.090036 141.8
[M]+ 141.11482142 131.0
[M]- 141.11591858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.