CID 171117789

Iso (13-methyl-d14:1) sphingosine

Structural Information

Molecular Formula
C15H31NO2
SMILES
CC(C)CCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C15H31NO2/c1-13(2)10-8-6-4-3-5-7-9-11-15(18)14(16)12-17/h9,11,13-15,17-18H,3-8,10,12,16H2,1-2H3/b11-9+/t14-,15+/m0/s1
InChIKey
PUOYCUFZRQIQEL-XXQUSICCSA-N
Compound name
(E,2S,3R)-2-amino-13-methyltetradec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.23547 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 172.0
[M+Na]+ 280.22469 173.4
[M-H]- 256.22819 167.4
[M+NH4]+ 275.26929 186.9
[M+K]+ 296.19863 170.4
[M+H-H2O]+ 240.23273 165.9
[M+HCOO]- 302.23367 187.9
[M+CH3COO]- 316.24932 198.3
[M+Na-2H]- 278.21014 168.4
[M]+ 257.23492 171.1
[M]- 257.23602 171.1
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.