CID 61553086

1-methoxy-3-methylbutan-2-ol

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)C(COC)O
InChI
InChI=1S/C6H14O2/c1-5(2)6(7)4-8-3/h5-7H,4H2,1-3H3
InChIKey
XFYWHZOKFISCGP-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

118.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.1
[M+Na]+ 141.08860 134.5
[M+NH4]+ 136.13320 132.8
[M+K]+ 157.06254 130.6
[M-H]- 117.09210 123.8
[M+Na-2H]- 139.07405 128.0
[M]+ 118.09883 125.8
[M]- 118.09993 125.8
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