CID 91980326

Ns00037945

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC=CC=CCN1CC(C(C(C1CO)O)O)O
InChI
InChI=1S/C12H21NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h2-5,9-12,14-17H,6-8H2,1H3
InChIKey
YRFCEEWIXYBDJU-UHFFFAOYSA-N
Compound name
1-hexa-2,4-dienyl-2-(hydroxymethyl)piperidine-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 158.7
[M+Na]+ 266.136278 164.3
[M-H]- 242.139784 155.0
[M+NH4]+ 261.180883 172.7
[M+K]+ 282.110218 159.6
[M+H-H2O]+ 226.144320 153.1
[M+HCOO]- 288.145261 171.7
[M+CH3COO]- 302.160911 184.5
[M+Na-2H]- 264.121726 157.6
[M]+ 243.14651142 154.3
[M]- 243.14760858 154.3
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.