CID 146155123

Rac-methyl (1r,3s)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1([C@H](C[C@@]1(C(=O)OC)N)O)C
InChI
InChI=1S/C8H15NO3/c1-7(2)5(10)4-8(7,9)6(11)12-3/h5,10H,4,9H2,1-3H3/t5-,8-/m0/s1
InChIKey
PLUCDXSHEYUNGE-XNCJUZBTSA-N
Compound name
methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 140.3
[M+Na]+ 196.09442 146.8
[M-H]- 172.09792 142.8
[M+NH4]+ 191.13902 157.0
[M+K]+ 212.06836 149.3
[M+H-H2O]+ 156.10246 132.8
[M+HCOO]- 218.10340 160.1
[M+CH3COO]- 232.11905 183.2
[M+Na-2H]- 194.07987 144.1
[M]+ 173.10465 148.6
[M]- 173.10575 148.6
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.