CID 145905475

Rac-2-[(1s,2r,4s)-2-amino-4-(tert-butoxy)cyclobutyl]acetic acid hydrochloride

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)(C)O[C@@H]1C[C@@H]([C@H]1CC(=O)O)N
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-8-5-7(11)6(8)4-9(12)13/h6-8H,4-5,11H2,1-3H3,(H,12,13)/t6-,7+,8-/m1/s1
InChIKey
ZQYBNECICHNOOF-GJMOJQLCSA-N
Compound name
2-[(1R,2S,4R)-2-amino-4-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 149.2
[M+Na]+ 224.12571 153.4
[M-H]- 200.12921 150.8
[M+NH4]+ 219.17031 160.9
[M+K]+ 240.09965 155.8
[M+H-H2O]+ 184.13375 138.7
[M+HCOO]- 246.13469 166.8
[M+CH3COO]- 260.15034 190.1
[M+Na-2H]- 222.11116 150.2
[M]+ 201.13594 156.8
[M]- 201.13704 156.8
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.