CID 165943267

Rac-1,2-diethyl (1r,2r)-4-aminocyclopentane-1,2-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCOC(=O)[C@@H]1CC(C[C@H]1C(=O)OCC)N
InChI
InChI=1S/C11H19NO4/c1-3-15-10(13)8-5-7(12)6-9(8)11(14)16-4-2/h7-9H,3-6,12H2,1-2H3/t8-,9-/m1/s1
InChIKey
GUYOKOIBUJIHAJ-RKDXNWHRSA-N
Compound name
trans-diethyl (1R,2R)-4-aminocyclopentane-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 153.1
[M+Na]+ 252.120628 158.3
[M-H]- 228.124134 155.7
[M+NH4]+ 247.165233 172.4
[M+K]+ 268.094568 158.0
[M+H-H2O]+ 212.128670 147.3
[M+HCOO]- 274.129611 174.4
[M+CH3COO]- 288.145261 191.6
[M+Na-2H]- 250.106076 151.7
[M]+ 229.13086142 153.4
[M]- 229.13195858 153.4
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.