CID 24981

2-(2-methylpentoxy)ethanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

146.13068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 133.6
[M+Na]+ 169.11990 143.0
[M+NH4]+ 164.16450 141.1
[M+K]+ 185.09384 137.7
[M-H]- 145.12340 132.5
[M+Na-2H]- 167.10535 136.4
[M]+ 146.13013 134.4
[M]- 146.13123 134.4
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