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
cis-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]+ 158.117556 134.1
[M+Na]+ 180.099498 140.8
[M-H]- 156.103004 137.2
[M+NH4]+ 175.144103 158.3
[M+K]+ 196.073438 140.3
[M+H-H2O]+ 140.107540 129.8
[M+HCOO]- 202.108481 156.8
[M+CH3COO]- 216.124131 177.3
[M+Na-2H]- 178.084946 137.3
[M]+ 157.10973142 131.8
[M]- 157.11082858 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.