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
cis-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]+ 202.143766 147.4
[M+Na]+ 224.125708 153.5
[M-H]- 200.129214 150.9
[M+NH4]+ 219.170313 163.8
[M+K]+ 240.099648 156.5
[M+H-H2O]+ 184.133750 139.4
[M+HCOO]- 246.134691 168.1
[M+CH3COO]- 260.150341 191.5
[M+Na-2H]- 222.111156 150.8
[M]+ 201.13594142 158.2
[M]- 201.13703858 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.