CID 154495

Methyl 3-amino-2,2,3-trimethylbutanoate

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)(C(=O)OC)C(C)(C)N
InChI
InChI=1S/C8H17NO2/c1-7(2,6(10)11-5)8(3,4)9/h9H2,1-5H3
InChIKey
BJSXLPVEEZIQQQ-UHFFFAOYSA-N
Compound name
methyl 3-amino-2,2,3-trimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.7
[M+Na]+ 182.11515 144.5
[M+NH4]+ 177.15975 143.2
[M+K]+ 198.08909 142.0
[M-H]- 158.11865 134.6
[M+Na-2H]- 180.10060 139.0
[M]+ 159.12538 137.0
[M]- 159.12648 137.0
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

patents stripe