CID 5080255

83585-61-9

Structural Information

Molecular Formula
C13H27NO6
SMILES
C1COCCOCCOC(COCCOCCO1)CN
InChI
InChI=1S/C13H27NO6/c14-11-13-12-19-8-7-17-4-3-15-1-2-16-5-6-18-9-10-20-13/h13H,1-12,14H2
InChIKey
BJUGHLWDFGGTGJ-UHFFFAOYSA-N
Compound name
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

289
Patents

293.18384 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19112 172.2
[M+Na]+ 316.17306 171.9
[M-H]- 292.17656 176.3
[M+NH4]+ 311.21766 174.7
[M+K]+ 332.14700 178.7
[M+H-H2O]+ 276.18110 169.8
[M+HCOO]- 338.18204 181.3
[M+CH3COO]- 352.19769 191.0
[M+Na-2H]- 314.15851 176.6
[M]+ 293.18329 164.6
[M]- 293.18439 164.6
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