CID 526908

2-(3-methylbutoxy)ethan-1-ol

Structural Information

Molecular Formula
C7H16O2
SMILES
CC(C)CCOCCO
InChI
InChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3
InChIKey
NCHBYORVPVDWBJ-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5975
Patents

132.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 130.7
[M+Na]+ 155.10426 136.9
[M-H]- 131.10776 129.5
[M+NH4]+ 150.14886 152.2
[M+K]+ 171.07820 136.9
[M+H-H2O]+ 115.11230 126.3
[M+HCOO]- 177.11324 152.2
[M+CH3COO]- 191.12889 172.3
[M+Na-2H]- 153.08971 135.5
[M]+ 132.11449 132.7
[M]- 132.11559 132.7
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