CID 42608345

15-methylhexadecasphing-4-enine(1+)

Structural Information

Molecular Formula
C17H35NO2
SMILES
CC(C)CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t16-,17+/m0/s1
InChIKey
LZKPPSAEINBHRP-KORIGIIASA-N
Compound name
(E,2S,3R)-2-amino-15-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 177.7
[M+Na]+ 308.25600 182.4
[M+NH4]+ 303.30060 182.0
[M+K]+ 324.22994 177.5
[M-H]- 284.25950 174.9
[M+Na-2H]- 306.24145 175.8
[M]+ 285.26623 176.9
[M]- 285.26733 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe