CID 3086302

Ec 700-263-8

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(C)([C@@H]1CCCO1)[C@@H]2CCCO2
InChI
InChI=1S/C11H20O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey
FZLHAQMQWDDWFI-UWVGGRQHSA-N
Compound name
(2S)-2-[2-[(2S)-oxolan-2-yl]propan-2-yl]oxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

184.14633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.9
[M+Na]+ 207.13555 146.9
[M-H]- 183.13905 149.7
[M+NH4]+ 202.18015 163.1
[M+K]+ 223.10949 148.4
[M+H-H2O]+ 167.14359 138.6
[M+HCOO]- 229.14453 160.9
[M+CH3COO]- 243.16018 179.4
[M+Na-2H]- 205.12100 146.4
[M]+ 184.14578 140.3
[M]- 184.14688 140.3
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

patents stripe