CID 79124652

2770495-24-2

Structural Information

Molecular Formula
C8H17NO3
SMILES
CCOC(=O)C(C(C)(C)CN)O
InChI
InChI=1S/C8H17NO3/c1-4-12-7(11)6(10)8(2,3)5-9/h6,10H,4-5,9H2,1-3H3
InChIKey
SAXOJGRICBZKNQ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-hydroxy-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 141.0
[M+Na]+ 198.11007 146.4
[M-H]- 174.11357 139.3
[M+NH4]+ 193.15467 160.0
[M+K]+ 214.08401 146.5
[M+H-H2O]+ 158.11811 136.4
[M+HCOO]- 220.11905 160.4
[M+CH3COO]- 234.13470 181.2
[M+Na-2H]- 196.09552 143.8
[M]+ 175.12030 141.0
[M]- 175.12140 141.0
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.