CID 121225742

2287247-68-9

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)(C)OC[C@@H](CC(=O)O)N
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)/t6-/m1/s1
InChIKey
JPWXPSWESBCLDA-ZCFIWIBFSA-N
Compound name
(3R)-3-amino-4-[(2-methylpropan-2-yl)oxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 140.0
[M+Na]+ 198.11007 146.7
[M+NH4]+ 193.15467 145.6
[M+K]+ 214.08401 144.6
[M-H]- 174.11357 137.2
[M+Na-2H]- 196.09552 140.9
[M]+ 175.12030 139.7
[M]- 175.12140 139.7
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.