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]+ 146.117556 132.3
[M+Na]+ 168.099498 138.4
[M-H]- 144.103004 131.5
[M+NH4]+ 163.144103 151.3
[M+K]+ 184.073438 136.8
[M+H-H2O]+ 128.107540 126.8
[M+HCOO]- 190.108481 149.2
[M+CH3COO]- 204.124131 170.1
[M+Na-2H]- 166.084946 136.1
[M]+ 145.10973142 127.5
[M]- 145.11082858 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.