CID 15259323

4-amino-2-ethylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCC(CCN)C(=O)O
InChI
InChI=1S/C6H13NO2/c1-2-5(3-4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKey
SOOCLGXZSDVHSO-UHFFFAOYSA-N
Compound name
4-amino-2-ethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

131.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 129.7
[M+Na]+ 154.08386 135.5
[M-H]- 130.08736 128.1
[M+NH4]+ 149.12846 150.4
[M+K]+ 170.05780 135.1
[M+H-H2O]+ 114.09190 125.0
[M+HCOO]- 176.09284 151.1
[M+CH3COO]- 190.10849 173.4
[M+Na-2H]- 152.06931 132.7
[M]+ 131.09409 128.1
[M]- 131.09519 128.1
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