CID 451512

N-ethylmoranoline

Structural Information

Molecular Formula
C8H17NO4
SMILES
CCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C8H17NO4/c1-2-9-3-6(11)8(13)7(12)5(9)4-10/h5-8,10-13H,2-4H2,1H3/t5-,6+,7-,8-/m1/s1
InChIKey
DAYOICKCVBMUPS-ULAWRXDQSA-N
Compound name
(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

133
Patents

191.11575 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12303 143.3
[M+Na]+ 214.10497 149.8
[M-H]- 190.10847 140.2
[M+NH4]+ 209.14957 159.4
[M+K]+ 230.07891 147.3
[M+H-H2O]+ 174.11301 138.2
[M+HCOO]- 236.11395 157.2
[M+CH3COO]- 250.12960 175.3
[M+Na-2H]- 212.09042 144.2
[M]+ 191.11520 138.9
[M]- 191.11630 138.9
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

No patent data available for this compound.