CID 91664493

2387567-29-3

Structural Information

Molecular Formula
C8H15NO2
SMILES
C[C@@]1(CC[C@@H](C1)N)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-6(9)5-8/h6H,3-5,9H2,1-2H3/t6-,8-/m0/s1
InChIKey
DYXKGUVHXWEDTR-XPUUQOCRSA-N
Compound name
methyl (1S,3S)-3-amino-1-methylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.1
[M+Na]+ 180.09950 140.8
[M-H]- 156.10300 137.2
[M+NH4]+ 175.14410 158.3
[M+K]+ 196.07344 140.3
[M+H-H2O]+ 140.10754 129.8
[M+HCOO]- 202.10848 156.8
[M+CH3COO]- 216.12413 177.3
[M+Na-2H]- 178.08495 137.3
[M]+ 157.10973 131.8
[M]- 157.11083 131.8
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.