CID 66026499

5-methoxy-2,2-dimethylpentan-1-ol

Structural Information

Molecular Formula
C8H18O2
SMILES
CC(C)(CCCOC)CO
InChI
InChI=1S/C8H18O2/c1-8(2,7-9)5-4-6-10-3/h9H,4-7H2,1-3H3
InChIKey
IQZXWRRZPIOGHS-UHFFFAOYSA-N
Compound name
5-methoxy-2,2-dimethylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 134.8
[M+Na]+ 169.11990 141.3
[M-H]- 145.12340 133.7
[M+NH4]+ 164.16450 156.0
[M+K]+ 185.09384 141.0
[M+H-H2O]+ 129.12794 130.9
[M+HCOO]- 191.12888 155.4
[M+CH3COO]- 205.14453 174.9
[M+Na-2H]- 167.10535 141.0
[M]+ 146.13013 137.4
[M]- 146.13123 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.