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]+ 142.12265 135.4
[M+Na]+ 164.10459 144.0
[M-H]- 140.10809 135.5
[M+NH4]+ 159.14919 154.7
[M+K]+ 180.07853 143.7
[M+H-H2O]+ 124.11263 125.6
[M+HCOO]- 186.11357 151.3
[M+CH3COO]- 200.12922 187.5
[M+Na-2H]- 162.09004 141.8
[M]+ 141.11482 131.0
[M]- 141.11592 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.