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]+ 176.128126 141.0
[M+Na]+ 198.110068 146.4
[M-H]- 174.113574 139.3
[M+NH4]+ 193.154673 160.0
[M+K]+ 214.084008 146.5
[M+H-H2O]+ 158.118110 136.4
[M+HCOO]- 220.119051 160.4
[M+CH3COO]- 234.134701 181.2
[M+Na-2H]- 196.095516 143.8
[M]+ 175.12030142 141.0
[M]- 175.12139858 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.