CID 78198

1,1,5,5-tetramethoxypentane

Structural Information

Molecular Formula
C9H20O4
SMILES
COC(CCCC(OC)OC)OC
InChI
InChI=1S/C9H20O4/c1-10-8(11-2)6-5-7-9(12-3)13-4/h8-9H,5-7H2,1-4H3
InChIKey
FHBAGVNIWPLUOK-UHFFFAOYSA-N
Compound name
1,1,5,5-tetramethoxypentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

192.13615 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14343 145.1
[M+Na]+ 215.12537 150.6
[M-H]- 191.12887 145.0
[M+NH4]+ 210.16997 164.7
[M+K]+ 231.09931 152.4
[M+H-H2O]+ 175.13341 139.7
[M+HCOO]- 237.13435 167.0
[M+CH3COO]- 251.15000 185.8
[M+Na-2H]- 213.11082 148.1
[M]+ 192.13560 152.2
[M]- 192.13670 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe