CID 137964049

Rac-methyl2-[(1s,2r,4s)-2-amino-4-(tert-butoxy)cyclobutyl]acetatehydrochloride

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC(C)(C)O[C@@H]1C[C@@H]([C@H]1CC(=O)OC)N
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-9-6-8(12)7(9)5-10(13)14-4/h7-9H,5-6,12H2,1-4H3/t7-,8+,9-/m1/s1
InChIKey
OMUJACOHJYZZRD-HRDYMLBCSA-N
Compound name
methyl 2-[(1R,2S,4R)-2-amino-4-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.5
[M+Na]+ 238.14137 156.8
[M-H]- 214.14487 155.3
[M+NH4]+ 233.18597 164.4
[M+K]+ 254.11531 159.9
[M+H-H2O]+ 198.14941 141.8
[M+HCOO]- 260.15035 171.3
[M+CH3COO]- 274.16600 194.8
[M+Na-2H]- 236.12682 153.6
[M]+ 215.15160 162.3
[M]- 215.15270 162.3
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.