CID 162739297

2742623-89-6

Structural Information

Molecular Formula
C9H15NO2
SMILES
COC(=O)[C@H](CC12CC(C1)C2)N
InChI
InChI=1S/C9H15NO2/c1-12-8(11)7(10)5-9-2-6(3-9)4-9/h6-7H,2-5,10H2,1H3/t6?,7-,9?/m0/s1
InChIKey
ACXUEYYAEJHEIU-CRMOQAEOSA-N
Compound name
methyl (2S)-2-amino-3-(1-bicyclo[1.1.1]pentanyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

169.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 159.9
[M+Na]+ 192.09950 161.2
[M-H]- 168.10300 161.9
[M+NH4]+ 187.14410 163.8
[M+K]+ 208.07344 168.3
[M+H-H2O]+ 152.10754 144.5
[M+HCOO]- 214.10848 171.5
[M+CH3COO]- 228.12413 210.2
[M+Na-2H]- 190.08495 162.8
[M]+ 169.10973 183.4
[M]- 169.11083 183.4
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

patents stripe