CID 3016868

1,1,6,6-tetramethoxyhexane

Structural Information

Molecular Formula
C10H22O4
SMILES
COC(CCCCC(OC)OC)OC
InChI
InChI=1S/C10H22O4/c1-11-9(12-2)7-5-6-8-10(13-3)14-4/h9-10H,5-8H2,1-4H3
InChIKey
RLIGZIPVXNQITD-UHFFFAOYSA-N
Compound name
1,1,6,6-tetramethoxyhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

206.15181 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.159086 149.8
[M+Na]+ 229.141028 154.9
[M-H]- 205.144534 149.5
[M+NH4]+ 224.185633 168.9
[M+K]+ 245.114968 156.5
[M+H-H2O]+ 189.149070 144.2
[M+HCOO]- 251.150011 171.3
[M+CH3COO]- 265.165661 188.8
[M+Na-2H]- 227.126476 152.3
[M]+ 206.15126142 157.2
[M]- 206.15235858 157.2
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