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]+ 211.10956 146.9
[M+Na]+ 233.09150 153.2
[M-H]- 209.09500 146.7
[M+NH4]+ 228.13610 166.7
[M+K]+ 249.06544 152.3
[M+H-H2O]+ 193.09954 142.6
[M+HCOO]- 255.10048 164.1
[M+CH3COO]- 269.11613 187.6
[M+Na-2H]- 231.07695 149.6
[M]+ 210.10173 154.3
[M]- 210.10283 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