CID 135392191

2231673-55-3

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)CC12CC(C1)(C2)N
InChI
InChI=1S/C8H13NO2/c1-11-6(10)2-7-3-8(9,4-7)5-7/h2-5,9H2,1H3
InChIKey
FZMWNRAQEXINJP-UHFFFAOYSA-N
Compound name
methyl 2-(3-amino-1-bicyclo[1.1.1]pentanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

155.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 156.4
[M+Na]+ 178.083858 159.3
[M-H]- 154.087364 159.1
[M+NH4]+ 173.128463 162.5
[M+K]+ 194.057798 165.5
[M+H-H2O]+ 138.091900 142.9
[M+HCOO]- 200.092841 169.2
[M+CH3COO]- 214.108491 207.2
[M+Na-2H]- 176.069306 161.5
[M]+ 155.09409142 180.5
[M]- 155.09518858 180.5
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