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 157.3
[M+Na]+ 248.12571 164.2
[M-H]- 224.12921 164.2
[M+NH4]+ 243.17031 161.8
[M+K]+ 264.09965 162.3
[M+H-H2O]+ 208.13375 150.7
[M+HCOO]- 270.13469 173.8
[M+CH3COO]- 284.15034 201.4
[M+Na-2H]- 246.11116 158.9
[M]+ 225.13594 162.8
[M]- 225.13704 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.