CID 42608346

14-methyl-hexadecasphingosine

Structural Information

Molecular Formula
C17H35NO2
SMILES
CCC(C)CCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H35NO2/c1-3-15(2)12-10-8-6-4-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t15?,16-,17+/m0/s1
InChIKey
NJVGCHGRFMZTKV-KLVHAFEJSA-N
Compound name
(E,2S,3R)-2-amino-14-methylhexadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.26678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.27406 180.9
[M+Na]+ 308.25600 181.5
[M-H]- 284.25950 175.9
[M+NH4]+ 303.30060 194.6
[M+K]+ 324.22994 178.0
[M+H-H2O]+ 268.26404 174.4
[M+HCOO]- 330.26498 196.1
[M+CH3COO]- 344.28063 204.3
[M+Na-2H]- 306.24145 176.3
[M]+ 285.26623 180.7
[M]- 285.26733 180.7
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

patents stripe