CID 171117790

Iso (4e,13z,15-methyl-d16:2) sphingosine

Structural Information

Molecular Formula
C17H33NO2
SMILES
CC(C)/C=C\CCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H33NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h10-13,15-17,19-20H,3-9,14,18H2,1-2H3/b12-10-,13-11+/t16-,17+/m0/s1
InChIKey
MWMVOFZJFJJZJL-HIQVOFEJSA-N
Compound name
(2S,3R,4E,13Z)-2-amino-15-methylhexadeca-4,13-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.25113 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.25841 179.6
[M+Na]+ 306.24035 180.6
[M-H]- 282.24385 174.7
[M+NH4]+ 301.28495 193.4
[M+K]+ 322.21429 176.5
[M+H-H2O]+ 266.24839 173.2
[M+HCOO]- 328.24933 195.0
[M+CH3COO]- 342.26498 202.8
[M+Na-2H]- 304.22580 175.0
[M]+ 283.25058 178.6
[M]- 283.25168 178.6
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.