CID 3035517

127913-03-5

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)([C@@H]1CC=C([C@H](C1)O)CCO)O
InChI
InChI=1S/C11H20O3/c1-11(2,14)9-4-3-8(5-6-12)10(13)7-9/h3,9-10,12-14H,4-7H2,1-2H3/t9-,10+/m1/s1
InChIKey
VSDYCFMYAPMHAC-ZJUUUORDSA-N
Compound name
(1S,5R)-2-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

200.14125 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 147.0
[M+Na]+ 223.13047 152.4
[M-H]- 199.13397 146.2
[M+NH4]+ 218.17507 164.5
[M+K]+ 239.10441 149.8
[M+H-H2O]+ 183.13851 142.5
[M+HCOO]- 245.13945 162.5
[M+CH3COO]- 259.15510 179.2
[M+Na-2H]- 221.11592 150.1
[M]+ 200.14070 143.8
[M]- 200.14180 143.8
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

No patent data available for this compound.