CID 178344783

Methyl 1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)C12CCC(C1)(NC2)CO
InChI
InChI=1S/C9H15NO3/c1-13-7(12)8-2-3-9(4-8,6-11)10-5-8/h10-11H,2-6H2,1H3
InChIKey
PLAGVRYEQYLSNV-UHFFFAOYSA-N
Compound name
methyl 1-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-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]+ 186.112476 143.2
[M+Na]+ 208.094418 150.1
[M-H]- 184.097924 142.0
[M+NH4]+ 203.139023 169.0
[M+K]+ 224.068358 148.0
[M+H-H2O]+ 168.102460 139.6
[M+HCOO]- 230.103401 159.9
[M+CH3COO]- 244.119051 173.8
[M+Na-2H]- 206.079866 147.8
[M]+ 185.10465142 141.4
[M]- 185.10574858 141.4
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.