CID 371779

1,1,1-triethoxybutane

Structural Information

Molecular Formula
C10H22O3
SMILES
CCCC(OCC)(OCC)OCC
InChI
InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey
KOPMZTKUZCNGFY-UHFFFAOYSA-N
Compound name
1,1,1-triethoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

808
Patents

190.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 146.3
[M+Na]+ 213.14611 152.3
[M-H]- 189.14961 146.2
[M+NH4]+ 208.19071 166.4
[M+K]+ 229.12005 152.9
[M+H-H2O]+ 173.15415 141.5
[M+HCOO]- 235.15509 168.0
[M+CH3COO]- 249.17074 185.6
[M+Na-2H]- 211.13156 152.0
[M]+ 190.15634 153.1
[M]- 190.15744 153.1
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