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
cis-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]+ 174.112476 140.3
[M+Na]+ 196.094418 146.8
[M-H]- 172.097924 142.8
[M+NH4]+ 191.139023 157.0
[M+K]+ 212.068358 149.3
[M+H-H2O]+ 156.102460 132.8
[M+HCOO]- 218.103401 160.1
[M+CH3COO]- 232.119051 183.2
[M+Na-2H]- 194.079866 144.1
[M]+ 173.10465142 148.6
[M]- 173.10574858 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.