CID 97300468

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

Structural Information

Molecular Formula
C10H19NO3
SMILES
CCO[C@@H]1C[C@](C1(C)C)(C(=O)OC)N
InChI
InChI=1S/C10H19NO3/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
InChIKey
XVQPEWONSTYETA-GMSGAONNSA-N
Compound name
methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 147.4
[M+Na]+ 224.12571 153.5
[M-H]- 200.12921 150.9
[M+NH4]+ 219.17031 163.8
[M+K]+ 240.09965 156.5
[M+H-H2O]+ 184.13375 139.4
[M+HCOO]- 246.13469 168.1
[M+CH3COO]- 260.15034 191.5
[M+Na-2H]- 222.11116 150.8
[M]+ 201.13594 158.2
[M]- 201.13704 158.2
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.