CID 22222058

Schembl5705227

Structural Information

Molecular Formula
C12H20O2
SMILES
C/C=C/OC1CCC(CC1)O/C=C/C
InChI
InChI=1S/C12H20O2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-4,9-12H,5-8H2,1-2H3/b9-3+,10-4+
InChIKey
TXHDDWGFTSDFEB-LQIBPGRFSA-N
Compound name
1,4-bis[(E)-prop-1-enoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 146.7
[M+Na]+ 219.135548 151.3
[M-H]- 195.139054 149.1
[M+NH4]+ 214.180153 166.1
[M+K]+ 235.109488 149.3
[M+H-H2O]+ 179.143590 140.8
[M+HCOO]- 241.144531 166.8
[M+CH3COO]- 255.160181 183.6
[M+Na-2H]- 217.120996 149.7
[M]+ 196.14578142 145.1
[M]- 196.14687858 145.1
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