CID 58932425

2866308-33-8

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC[C@@H]1CCC[C@@H](N1)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-3-7-5-4-6-8(10-7)9(11)12-2/h7-8,10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey
MGCOQUCVBHNYRB-HTQZYQBOSA-N
Compound name
methyl (2R,6R)-6-ethylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.9
[M+Na]+ 194.115148 144.7
[M-H]- 170.118654 139.9
[M+NH4]+ 189.159753 158.2
[M+K]+ 210.089088 143.5
[M+H-H2O]+ 154.123190 133.7
[M+HCOO]- 216.124131 156.9
[M+CH3COO]- 230.139781 176.9
[M+Na-2H]- 192.100596 142.6
[M]+ 171.12538142 135.9
[M]- 171.12647858 135.9
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

patents stripe