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]+ 226.14377 130.4
[M+Na]+ 248.12571 140.8
[M+NH4]+ 243.17031 137.1
[M+K]+ 264.09965 141.3
[M-H]- 224.12921 145.5
[M+Na-2H]- 246.11116 138.5
[M]+ 225.13594 137.8
[M]- 225.13704 137.8
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.