CID 75488098

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.3
[M+Na]+ 182.11515 143.0
[M-H]- 158.11865 136.5
[M+NH4]+ 177.15975 157.2
[M+K]+ 198.08909 143.5
[M+H-H2O]+ 142.12319 132.6
[M+HCOO]- 204.12413 156.5
[M+CH3COO]- 218.13978 180.6
[M+Na-2H]- 180.10060 141.9
[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

No patent data available for this compound.