CID 130122375

(2,4,4-trimethyloxolan-2-yl)methanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC1(CC(OC1)(C)CO)C
InChI
InChI=1S/C8H16O2/c1-7(2)4-8(3,5-9)10-6-7/h9H,4-6H2,1-3H3
InChIKey
RGGWIVSWUZLUQW-UHFFFAOYSA-N
Compound name
(2,4,4-trimethyloxolan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 128.2
[M+Na]+ 167.104258 136.2
[M-H]- 143.107764 131.4
[M+NH4]+ 162.148863 153.7
[M+K]+ 183.078198 136.5
[M+H-H2O]+ 127.112300 125.6
[M+HCOO]- 189.113241 148.9
[M+CH3COO]- 203.128891 170.9
[M+Na-2H]- 165.089706 135.3
[M]+ 144.11449142 128.3
[M]- 144.11558858 128.3
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.