CID 5369370

Jok1p7l8hy

Structural Information

Molecular Formula
C9H18O3
SMILES
CCO/C=C/C(OCC)OCC
InChI
InChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKey
ATAQLIDYIFWHFW-BQYQJAHWSA-N
Compound name
(E)-1,3,3-triethoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

174.1256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.6
[M+Na]+ 197.114818 146.7
[M-H]- 173.118324 140.5
[M+NH4]+ 192.159423 161.1
[M+K]+ 213.088758 147.1
[M+H-H2O]+ 157.122860 135.5
[M+HCOO]- 219.123801 163.4
[M+CH3COO]- 233.139451 181.4
[M+Na-2H]- 195.100266 144.9
[M]+ 174.12505142 146.1
[M]- 174.12614858 146.1
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