CID 33261

Ethanol, 2-(2-(heptyloxy)ethoxy)-

Structural Information

Molecular Formula
C11H24O3
SMILES
CCCCCCCOCCOCCO
InChI
InChI=1S/C11H24O3/c1-2-3-4-5-6-8-13-10-11-14-9-7-12/h12H,2-11H2,1H3
InChIKey
OVPQPMTZOLCPHB-UHFFFAOYSA-N
Compound name
2-(2-heptoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

978
Patents

204.17255 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17983 151.2
[M+Na]+ 227.16177 155.9
[M-H]- 203.16527 149.0
[M+NH4]+ 222.20637 169.8
[M+K]+ 243.13571 154.8
[M+H-H2O]+ 187.16981 145.6
[M+HCOO]- 249.17075 172.6
[M+CH3COO]- 263.18640 185.5
[M+Na-2H]- 225.14722 155.1
[M]+ 204.17200 156.9
[M]- 204.17310 156.9
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