CID 165608630

1,1-dimethyl(3s)-3-aminocyclopentane-1,1-dicarboxylatehydrochloride

Structural Information

Molecular Formula
C9H15NO4
SMILES
COC(=O)C1(CC[C@@H](C1)N)C(=O)OC
InChI
InChI=1S/C9H15NO4/c1-13-7(11)9(8(12)14-2)4-3-6(10)5-9/h6H,3-5,10H2,1-2H3/t6-/m0/s1
InChIKey
WEAALSLBJFNTJN-LURJTMIESA-N
Compound name
dimethyl (3S)-3-aminocyclopentane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10011 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 143.3
[M+Na]+ 224.08933 149.4
[M-H]- 200.09283 146.3
[M+NH4]+ 219.13393 165.5
[M+K]+ 240.06327 149.7
[M+H-H2O]+ 184.09737 138.8
[M+HCOO]- 246.09831 165.3
[M+CH3COO]- 260.11396 183.9
[M+Na-2H]- 222.07478 145.0
[M]+ 201.09956 142.8
[M]- 201.10066 142.8
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.