CID 28557

18-crown-6

Structural Information

Molecular Formula
C12H24O6
SMILES
C1COCCOCCOCCOCCOCCO1
InChI
InChI=1S/C12H24O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKey
XEZNGIUYQVAUSS-UHFFFAOYSA-N
Compound name
1,4,7,10,13,16-hexaoxacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

644
References

58953
Patents

264.1573 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.164576 159.7
[M+Na]+ 287.146518 159.9
[M-H]- 263.150024 164.3
[M+NH4]+ 282.191123 163.8
[M+K]+ 303.120458 167.7
[M+H-H2O]+ 247.154560 158.2
[M+HCOO]- 309.155501 169.0
[M+CH3COO]- 323.171151 182.6
[M+Na-2H]- 285.131966 166.2
[M]+ 264.15675142 153.0
[M]- 264.15784858 153.0
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