CID 9862210

6918-49-6

Structural Information

Molecular Formula
C20H41NO2
SMILES
CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/b17-16+/t19-,20+/m0/s1
InChIKey
HTJSZHKGNMXZJN-YIVRLKKSSA-N
Compound name
(E,2S,3R)-2-aminoicos-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

327.31372 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.32100 193.1
[M+Na]+ 350.30294 192.6
[M-H]- 326.30644 187.4
[M+NH4]+ 345.34754 205.2
[M+K]+ 366.27688 187.9
[M+H-H2O]+ 310.31098 185.9
[M+HCOO]- 372.31192 208.3
[M+CH3COO]- 386.32757 212.4
[M+Na-2H]- 348.28839 188.3
[M]+ 327.31317 194.7
[M]- 327.31427 194.7
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