CID 77137

1-methoxy-2-methyl-2-propanol

Structural Information

Molecular Formula
C5H12O2
SMILES
CC(C)(COC)O
InChI
InChI=1S/C5H12O2/c1-5(2,6)4-7-3/h6H,4H2,1-3H3
InChIKey
MXUXZWFVAPTPAG-UHFFFAOYSA-N
Compound name
1-methoxy-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1221
Patents

104.08373 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.091006 120.8
[M+Na]+ 127.072948 128.5
[M-H]- 103.076454 120.2
[M+NH4]+ 122.117553 143.6
[M+K]+ 143.046888 129.0
[M+H-H2O]+ 87.080990 117.4
[M+HCOO]- 149.081931 142.4
[M+CH3COO]- 163.097581 165.7
[M+Na-2H]- 125.058396 128.6
[M]+ 104.08318142 122.3
[M]- 104.08427858 122.3
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