CID 66098599

2580243-25-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.0
[M+Na]+ 182.11515 144.7
[M+NH4]+ 177.15975 143.5
[M+K]+ 198.08909 141.7
[M-H]- 158.11865 135.2
[M+Na-2H]- 180.10060 138.9
[M]+ 159.12538 137.2
[M]- 159.12648 137.2
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.