CID 78955

4-methoxy-4-methyl-2-pentanol

Structural Information

Molecular Formula
C7H16O2
SMILES
CC(CC(C)(C)OC)O
InChI
InChI=1S/C7H16O2/c1-6(8)5-7(2,3)9-4/h6,8H,5H2,1-4H3
InChIKey
OMSLSFZIEVFEIH-UHFFFAOYSA-N
Compound name
4-methoxy-4-methylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

127
Patents

132.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.122316 130.0
[M+Na]+ 155.104258 136.7
[M-H]- 131.107764 129.1
[M+NH4]+ 150.148863 151.7
[M+K]+ 171.078198 137.1
[M+H-H2O]+ 115.112300 126.3
[M+HCOO]- 177.113241 150.0
[M+CH3COO]- 191.128891 172.6
[M+Na-2H]- 153.089706 135.5
[M]+ 132.11449142 131.6
[M]- 132.11558858 131.6
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