CID 14451573

126567-38-2

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(=O)O[C@@H](C#N)C(C)(C)C
InChI
InChI=1S/C8H13NO2/c1-6(10)11-7(5-9)8(2,3)4/h7H,1-4H3/t7-/m0/s1
InChIKey
GMXVZILJXCSLTG-ZETCQYMHSA-N
Compound name
[(1R)-1-cyano-2,2-dimethylpropyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.7
[M+Na]+ 178.08386 142.5
[M+NH4]+ 173.12846 137.2
[M+K]+ 194.05780 136.1
[M-H]- 154.08736 124.9
[M+Na-2H]- 176.06931 134.3
[M]+ 155.09409 131.4
[M]- 155.09519 131.4
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.