CID 70678996

3-dehydro-15-methylhexadecasphinganine(1+)

Structural Information

Molecular Formula
C17H35NO2
SMILES
CC(C)CCCCCCCCCCCC(=O)[C@H](CO)N
InChI
InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-16,19H,3-14,18H2,1-2H3/t16-/m0/s1
InChIKey
RGDAORVPVAQJHT-INIZCTEOSA-N
Compound name
(2S)-2-amino-1-hydroxy-15-methylhexadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.26678 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.27406 180.4
[M+Na]+ 308.25600 181.3
[M-H]- 284.25950 176.8
[M+NH4]+ 303.30060 194.8
[M+K]+ 324.22994 178.7
[M+H-H2O]+ 268.26404 173.7
[M+HCOO]- 330.26498 197.1
[M+CH3COO]- 344.28063 207.4
[M+Na-2H]- 306.24145 176.3
[M]+ 285.26623 182.3
[M]- 285.26733 182.3
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

No patent data available for this compound.