CID 137965722

2230799-70-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
CCOC(=O)C12CC(C1)(OC2)CN
InChI
InChI=1S/C9H15NO3/c1-2-12-7(11)8-3-9(4-8,5-10)13-6-8/h2-6,10H2,1H3
InChIKey
GOGUXIPQULTGMV-UHFFFAOYSA-N
Compound name
ethyl 1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 147.3
[M+Na]+ 208.09442 152.6
[M-H]- 184.09792 148.5
[M+NH4]+ 203.13902 169.4
[M+K]+ 224.06836 155.1
[M+H-H2O]+ 168.10246 141.2
[M+HCOO]- 230.10340 164.4
[M+CH3COO]- 244.11905 186.9
[M+Na-2H]- 206.07987 155.3
[M]+ 185.10465 161.2
[M]- 185.10575 161.2
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.