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

19
Patents

155.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 156.4
[M+Na]+ 178.08386 159.3
[M-H]- 154.08736 159.1
[M+NH4]+ 173.12846 162.5
[M+K]+ 194.05780 165.5
[M+H-H2O]+ 138.09190 142.9
[M+HCOO]- 200.09284 169.2
[M+CH3COO]- 214.10849 207.2
[M+Na-2H]- 176.06931 161.5
[M]+ 155.09409 180.5
[M]- 155.09519 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