CID 95548

2-chloro-1,1,3-triethoxypropane

Structural Information

Molecular Formula
C9H19ClO3
SMILES
CCOCC(C(OCC)OCC)Cl
InChI
InChI=1S/C9H19ClO3/c1-4-11-7-8(10)9(12-5-2)13-6-3/h8-9H,4-7H2,1-3H3
InChIKey
WEGSOVKZMZPKLO-UHFFFAOYSA-N
Compound name
2-chloro-1,1,3-triethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.10228 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.109556 146.9
[M+Na]+ 233.091498 153.2
[M-H]- 209.095004 146.7
[M+NH4]+ 228.136103 166.7
[M+K]+ 249.065438 152.3
[M+H-H2O]+ 193.099540 142.6
[M+HCOO]- 255.100481 164.1
[M+CH3COO]- 269.116131 187.6
[M+Na-2H]- 231.076946 149.6
[M]+ 210.10173142 154.3
[M]- 210.10282858 154.3
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