CID 88886

2-(methoxymethyl)-2-methylpropane-1,3-diol

Structural Information

Molecular Formula
C6H14O3
SMILES
CC(CO)(CO)COC
InChI
InChI=1S/C6H14O3/c1-6(3-7,4-8)5-9-2/h7-8H,3-5H2,1-2H3
InChIKey
PHYLYOUKLVCIAO-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)-2-methylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

134.0943 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.101576 129.3
[M+Na]+ 157.083518 136.1
[M-H]- 133.087024 127.0
[M+NH4]+ 152.128123 150.1
[M+K]+ 173.057458 135.8
[M+H-H2O]+ 117.091560 125.6
[M+HCOO]- 179.092501 149.2
[M+CH3COO]- 193.108151 168.1
[M+Na-2H]- 155.068966 136.0
[M]+ 134.09375142 130.6
[M]- 134.09484858 130.6
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