CID 23283845

Ethyl 3-amino-2,2-dimethylbutanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCOC(=O)C(C)(C)C(C)N
InChI
InChI=1S/C8H17NO2/c1-5-11-7(10)8(3,4)6(2)9/h6H,5,9H2,1-4H3
InChIKey
RRBLUYXJXGRPDA-UHFFFAOYSA-N
Compound name
ethyl 3-amino-2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

159.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.4
[M+Na]+ 182.115148 143.3
[M-H]- 158.118654 137.3
[M+NH4]+ 177.159753 158.0
[M+K]+ 198.089088 143.9
[M+H-H2O]+ 142.123190 132.9
[M+HCOO]- 204.124131 158.1
[M+CH3COO]- 218.139781 181.7
[M+Na-2H]- 180.100596 140.8
[M]+ 159.12538142 137.9
[M]- 159.12647858 137.9
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

patents stripe