CID 114626

Tert-butyl 2-amino-3-methylbutanoate hydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H19NO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,10H2,1-5H3/t7-/m0/s1
InChIKey
RJBVJBGFJIHJSZ-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1898
Patents

173.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.9
[M+Na]+ 196.130808 147.3
[M-H]- 172.134314 141.8
[M+NH4]+ 191.175413 162.0
[M+K]+ 212.104748 148.1
[M+H-H2O]+ 156.138850 137.4
[M+HCOO]- 218.139791 161.4
[M+CH3COO]- 232.155441 185.0
[M+Na-2H]- 194.116256 143.6
[M]+ 173.14104142 142.1
[M]- 173.14213858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe