CID 101101125

Obscuraminol b

Structural Information

Molecular Formula
C16H31NO
SMILES
C[C@@H]([C@@H](CCC/C=C\CCCCCCC=C)O)N
InChI
InChI=1S/C16H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15(2)17/h3,10-11,15-16,18H,1,4-9,12-14,17H2,2H3/b11-10-/t15-,16+/m0/s1
InChIKey
WQUFOQOJRNRZNB-JVSIQZEQSA-N
Compound name
(2S,3R,7Z)-2-aminohexadeca-7,15-dien-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.24057 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.24785 171.1
[M+Na]+ 276.22979 173.0
[M-H]- 252.23329 167.7
[M+NH4]+ 271.27439 186.9
[M+K]+ 292.20373 169.0
[M+H-H2O]+ 236.23783 164.7
[M+HCOO]- 298.23877 189.1
[M+CH3COO]- 312.25442 200.1
[M+Na-2H]- 274.21524 168.8
[M]+ 253.24002 170.9
[M]- 253.24112 170.9
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.