CID 49768183

(3s,4s)-1-ethylpiperidine-3,4-diol

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCN1CC[C@@H]([C@H](C1)O)O
InChI
InChI=1S/C7H15NO2/c1-2-8-4-3-6(9)7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7-/m0/s1
InChIKey
RUNRBFLMANROOE-BQBZGAKWSA-N
Compound name
(3S,4S)-1-ethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.3
[M+Na]+ 168.09950 138.4
[M-H]- 144.10300 131.5
[M+NH4]+ 163.14410 151.3
[M+K]+ 184.07344 136.8
[M+H-H2O]+ 128.10754 126.8
[M+HCOO]- 190.10848 149.2
[M+CH3COO]- 204.12413 170.1
[M+Na-2H]- 166.08495 136.1
[M]+ 145.10973 127.5
[M]- 145.11083 127.5
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.