CID 7004940

(2s)-2-amino-3-(tert-butoxy)propanoic acid

Structural Information

Molecular Formula
C7H15NO3
SMILES
CC(C)(C)OC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1
InChIKey
DDCPKNYKNWXULB-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1050
Patents

161.1052 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11248 136.3
[M+Na]+ 184.09442 142.1
[M-H]- 160.09792 134.9
[M+NH4]+ 179.13902 155.9
[M+K]+ 200.06836 142.5
[M+H-H2O]+ 144.10246 131.9
[M+HCOO]- 206.10340 156.1
[M+CH3COO]- 220.11905 178.2
[M+Na-2H]- 182.07987 139.7
[M]+ 161.10465 135.9
[M]- 161.10575 135.9
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