CID 129320379

(1s,2z)-5-amino-1-(3-{3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)pent-2-en-1-ol

Structural Information

Molecular Formula
C12H19NO3
SMILES
C/C=C/C1C(O1)C2C(O2)[C@H](/C=C\CCN)O
InChI
InChI=1S/C12H19NO3/c1-2-5-9-11(15-9)12-10(16-12)8(14)6-3-4-7-13/h2-3,5-6,8-12,14H,4,7,13H2,1H3/b5-2+,6-3-/t8-,9?,10?,11?,12?/m0/s1
InChIKey
GRYXHWYSURJTKX-PCYVOSHWSA-N
Compound name
(Z,1S)-5-amino-1-[3-[3-[(E)-prop-1-enyl]oxiran-2-yl]oxiran-2-yl]pent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.143766 157.3
[M+Na]+ 248.125708 164.2
[M-H]- 224.129214 164.2
[M+NH4]+ 243.170313 161.8
[M+K]+ 264.099648 162.3
[M+H-H2O]+ 208.133750 150.7
[M+HCOO]- 270.134691 173.8
[M+CH3COO]- 284.150341 201.4
[M+Na-2H]- 246.111156 158.9
[M]+ 225.13594142 162.8
[M]- 225.13703858 162.8
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.