CID 68521

Tributyl orthoformate

Structural Information

Molecular Formula
C13H28O3
SMILES
CCCCOC(OCCCC)OCCCC
InChI
InChI=1S/C13H28O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h13H,4-12H2,1-3H3
InChIKey
SGJBIFUEFLWXJY-UHFFFAOYSA-N
Compound name
1-(dibutoxymethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1357
Patents

232.20384 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.21112 160.7
[M+Na]+ 255.19306 164.7
[M-H]- 231.19656 159.7
[M+NH4]+ 250.23766 178.8
[M+K]+ 271.16700 164.6
[M+H-H2O]+ 215.20110 154.6
[M+HCOO]- 277.20204 181.9
[M+CH3COO]- 291.21769 195.0
[M+Na-2H]- 253.17851 162.7
[M]+ 232.20329 168.4
[M]- 232.20439 168.4
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