CID 129320299

(1e,3s,4z)-7-amino-1-{3-[(1e)-prop-1-en-1-yl]oxiran-2-yl}hepta-1,4-dien-3-ol

Structural Information

Molecular Formula
C12H19NO2
SMILES
C/C=C/C1C(O1)/C=C/[C@H](/C=C\CCN)O
InChI
InChI=1S/C12H19NO2/c1-2-5-11-12(15-11)8-7-10(14)6-3-4-9-13/h2-3,5-8,10-12,14H,4,9,13H2,1H3/b5-2+,6-3-,8-7+/t10-,11?,12?/m0/s1
InChIKey
DGNXMEQCKQRRCB-NIPRIBPZSA-N
Compound name
(1E,3S,4Z)-7-amino-1-[3-[(E)-prop-1-enyl]oxiran-2-yl]hepta-1,4-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.4
[M+Na]+ 232.13081 156.8
[M-H]- 208.13431 152.5
[M+NH4]+ 227.17541 161.5
[M+K]+ 248.10475 152.6
[M+H-H2O]+ 192.13885 143.0
[M+HCOO]- 254.13979 169.7
[M+CH3COO]- 268.15544 189.7
[M+Na-2H]- 230.11626 152.0
[M]+ 209.14104 151.6
[M]- 209.14214 151.6
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.