CID 18624857

3-methoxy-2-methylpropan-1-ol

Structural Information

Molecular Formula
C5H12O2
SMILES
CC(CO)COC
InChI
InChI=1S/C5H12O2/c1-5(3-6)4-7-2/h5-6H,3-4H2,1-2H3
InChIKey
VBZDXGATDYLXEZ-UHFFFAOYSA-N
Compound name
3-methoxy-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

104.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.09101 120.3
[M+Na]+ 127.07295 130.3
[M+NH4]+ 122.11755 128.3
[M+K]+ 143.04689 125.7
[M-H]- 103.07645 119.3
[M+Na-2H]- 125.05840 123.9
[M]+ 104.08318 121.2
[M]- 104.08428 121.2
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