CID 20548

2-(2-ethylbutoxy)ethanol

Structural Information

Molecular Formula
C8H18O2
SMILES
CCC(CC)COCCO
InChI
InChI=1S/C8H18O2/c1-3-8(4-2)7-10-6-5-9/h8-9H,3-7H2,1-2H3
InChIKey
ZKCAGDPACLOVBN-UHFFFAOYSA-N
Compound name
2-(2-ethylbutoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2564
Patents

146.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 135.4
[M+Na]+ 169.11990 141.1
[M-H]- 145.12340 133.9
[M+NH4]+ 164.16450 156.3
[M+K]+ 185.09384 140.9
[M+H-H2O]+ 129.12794 130.7
[M+HCOO]- 191.12888 156.5
[M+CH3COO]- 205.14453 175.3
[M+Na-2H]- 167.10535 139.6
[M]+ 146.13013 137.8
[M]- 146.13123 137.8
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