CID 129320393

Chebi:142566

Structural Information

Molecular Formula
C12H19NO
SMILES
C/C=C/C=C/C=C/[C@H](C/C=C/CN)O
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,12,14H,10-11,13H2,1H3/b3-2+,5-4+,8-7+,9-6+/t12-/m1/s1
InChIKey
IWHNBGKZOVCSTH-QHHLHPODSA-N
Compound name
(2E,5S,6E,8E,10E)-1-aminododeca-2,6,8,10-tetraen-5-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 149.9
[M+Na]+ 216.135888 154.7
[M-H]- 192.139394 147.5
[M+NH4]+ 211.180493 168.3
[M+K]+ 232.109828 150.0
[M+H-H2O]+ 176.143930 144.6
[M+HCOO]- 238.144871 170.7
[M+CH3COO]- 252.160521 183.4
[M+Na-2H]- 214.121336 151.2
[M]+ 193.14612142 147.4
[M]- 193.14721858 147.4
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.