CID 155943531

Methyl 1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)C12CC(C1)(OC2)CN
InChI
InChI=1S/C8H13NO3/c1-11-6(10)7-2-8(3-7,4-9)12-5-7/h2-5,9H2,1H3
InChIKey
FFVDXAKTMYGLSO-UHFFFAOYSA-N
Compound name
methyl 1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 142.5
[M+Na]+ 194.078758 148.2
[M-H]- 170.082264 144.0
[M+NH4]+ 189.123363 165.1
[M+K]+ 210.052698 151.0
[M+H-H2O]+ 154.086800 136.6
[M+HCOO]- 216.087741 160.0
[M+CH3COO]- 230.103391 184.1
[M+Na-2H]- 192.064206 151.1
[M]+ 171.08899142 156.2
[M]- 171.09008858 156.2
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.