CID 137943150

2260937-89-9

Structural Information

Molecular Formula
C10H17NO3
SMILES
COC(=O)C12CCCC(C1)(OC2)CN
InChI
InChI=1S/C10H17NO3/c1-13-8(12)9-3-2-4-10(5-9,6-11)14-7-9/h2-7,11H2,1H3
InChIKey
KRBXCDOLCCZTAN-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-6-oxabicyclo[3.2.1]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 143.6
[M+Na]+ 222.11007 149.4
[M-H]- 198.11357 146.0
[M+NH4]+ 217.15467 168.0
[M+K]+ 238.08401 149.3
[M+H-H2O]+ 182.11811 139.6
[M+HCOO]- 244.11905 161.6
[M+CH3COO]- 258.13470 183.4
[M+Na-2H]- 220.09552 150.6
[M]+ 199.12030 142.1
[M]- 199.12140 142.1
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.