CID 11298516

Tert-butyl (2s)-2-(methylamino)propanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
C[C@@H](C(=O)OC(C)(C)C)NC
InChI
InChI=1S/C8H17NO2/c1-6(9-5)7(10)11-8(2,3)4/h6,9H,1-5H3/t6-/m0/s1
InChIKey
XDNKVSNTIKZEMC-LURJTMIESA-N
Compound name
tert-butyl (2S)-2-(methylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

159.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.0
[M+Na]+ 182.115148 143.1
[M-H]- 158.118654 137.5
[M+NH4]+ 177.159753 158.0
[M+K]+ 198.089088 144.0
[M+H-H2O]+ 142.123190 132.6
[M+HCOO]- 204.124131 158.4
[M+CH3COO]- 218.139781 181.7
[M+Na-2H]- 180.100596 141.5
[M]+ 159.12538142 138.6
[M]- 159.12647858 138.6
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