CID 24994

1,1,3-trimethoxybutane

Structural Information

Molecular Formula
C7H16O3
SMILES
CC(CC(OC)OC)OC
InChI
InChI=1S/C7H16O3/c1-6(8-2)5-7(9-3)10-4/h6-7H,5H2,1-4H3
InChIKey
OMAKZNALRADTRX-UHFFFAOYSA-N
Compound name
1,1,3-trimethoxybutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

94
Patents

148.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11722 133.0
[M+Na]+ 171.09916 139.3
[M-H]- 147.10266 133.2
[M+NH4]+ 166.14376 154.4
[M+K]+ 187.07310 141.2
[M+H-H2O]+ 131.10720 128.2
[M+HCOO]- 193.10814 155.2
[M+CH3COO]- 207.12379 177.9
[M+Na-2H]- 169.08461 137.1
[M]+ 148.10939 137.8
[M]- 148.11049 137.8
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