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]+ 200.128126 143.6
[M+Na]+ 222.110068 149.4
[M-H]- 198.113574 146.0
[M+NH4]+ 217.154673 168.0
[M+K]+ 238.084008 149.3
[M+H-H2O]+ 182.118110 139.6
[M+HCOO]- 244.119051 161.6
[M+CH3COO]- 258.134701 183.4
[M+Na-2H]- 220.095516 150.6
[M]+ 199.12030142 142.1
[M]- 199.12139858 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.