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
3
Annotation Hits

0
References

65
Patents

192.13615 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.143426 145.1
[M+Na]+ 215.125368 150.6
[M-H]- 191.128874 145.0
[M+NH4]+ 210.169973 164.7
[M+K]+ 231.099308 152.4
[M+H-H2O]+ 175.133410 139.7
[M+HCOO]- 237.134351 167.0
[M+CH3COO]- 251.150001 185.8
[M+Na-2H]- 213.110816 148.1
[M]+ 192.13560142 152.2
[M]- 192.13669858 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