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]+ 210.148866 149.4
[M+Na]+ 232.130808 156.8
[M-H]- 208.134314 152.5
[M+NH4]+ 227.175413 161.5
[M+K]+ 248.104748 152.6
[M+H-H2O]+ 192.138850 143.0
[M+HCOO]- 254.139791 169.7
[M+CH3COO]- 268.155441 189.7
[M+Na-2H]- 230.116256 152.0
[M]+ 209.14104142 151.6
[M]- 209.14213858 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.