CID 10335874

1-hexadecyl-2-ammonio-2-deoxy-sn-glycerol

Structural Information

Molecular Formula
C19H41NO2
SMILES
CCCCCCCCCCCCCCCCOC[C@H](CO)N
InChI
InChI=1S/C19H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(20)17-21/h19,21H,2-18,20H2,1H3/t19-/m0/s1
InChIKey
BAJLFGHOMLHSCH-IBGZPJMESA-N
Compound name
(2S)-2-amino-3-hexadecoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.31372 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.32100 188.8
[M+Na]+ 338.30294 188.9
[M-H]- 314.30644 184.5
[M+NH4]+ 333.34754 202.1
[M+K]+ 354.27688 185.4
[M+H-H2O]+ 298.31098 181.3
[M+HCOO]- 360.31192 206.5
[M+CH3COO]- 374.32757 212.6
[M+Na-2H]- 336.28839 186.2
[M]+ 315.31317 193.4
[M]- 315.31427 193.4
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