CID 70678996

3-dehydro-15-methylhexadecasphinganine

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]+ 286.274056 180.4
[M+Na]+ 308.255998 181.3
[M-H]- 284.259504 176.8
[M+NH4]+ 303.300603 194.8
[M+K]+ 324.229938 178.7
[M+H-H2O]+ 268.264040 173.7
[M+HCOO]- 330.264981 197.1
[M+CH3COO]- 344.280631 207.4
[M+Na-2H]- 306.241446 176.3
[M]+ 285.26623142 182.3
[M]- 285.26732858 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.