CID 5748724

2-thia-5,8-dioxa-4,7-dimethylundecan-10-ol

Structural Information

Molecular Formula
C10H22O3S
SMILES
C[C@@H](CO[C@@H](C)CO[C@H](C)CSC)O
InChI
InChI=1S/C10H22O3S/c1-8(11)5-12-9(2)6-13-10(3)7-14-4/h8-11H,5-7H2,1-4H3/t8-,9-,10+/m0/s1
InChIKey
VRUJZAUWWWDUCV-LPEHRKFASA-N
Compound name
(2S)-1-[(2S)-1-[(2R)-1-methylsulfanylpropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.12897 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13625 153.8
[M+Na]+ 245.11819 157.8
[M-H]- 221.12169 152.1
[M+NH4]+ 240.16279 171.8
[M+K]+ 261.09213 157.4
[M+H-H2O]+ 205.12623 148.2
[M+HCOO]- 267.12717 166.9
[M+CH3COO]- 281.14282 188.8
[M+Na-2H]- 243.10364 151.4
[M]+ 222.12842 159.2
[M]- 222.12952 159.2
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.