CID 10964552

2,4-dimethylpentane-1,5-diol

Structural Information

Molecular Formula
C7H16O2
SMILES
CC(CC(C)CO)CO
InChI
InChI=1S/C7H16O2/c1-6(4-8)3-7(2)5-9/h6-9H,3-5H2,1-2H3
InChIKey
ZJWDJIVISLUQQZ-UHFFFAOYSA-N
Compound name
2,4-dimethylpentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1785
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 131.9
[M+Na]+ 155.104258 137.4
[M-H]- 131.107764 129.3
[M+NH4]+ 150.148863 152.6
[M+K]+ 171.078198 137.0
[M+H-H2O]+ 115.112300 127.7
[M+HCOO]- 177.113241 150.8
[M+CH3COO]- 191.128891 170.5
[M+Na-2H]- 153.089706 134.8
[M]+ 132.11449142 131.3
[M]- 132.11558858 131.3
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