CID 3437285

1,4-bis((vinyloxy)methyl)cyclohexane

Structural Information

Molecular Formula
C12H20O2
SMILES
C=COCC1CCC(CC1)COC=C
InChI
InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2
InChIKey
DQNSRQYYCSXZDF-UHFFFAOYSA-N
Compound name
1,4-bis(ethenoxymethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5525
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 146.2
[M+Na]+ 219.135548 150.7
[M-H]- 195.139054 148.5
[M+NH4]+ 214.180153 165.5
[M+K]+ 235.109488 148.6
[M+H-H2O]+ 179.143590 140.2
[M+HCOO]- 241.144531 166.3
[M+CH3COO]- 255.160181 185.0
[M+Na-2H]- 217.120996 149.2
[M]+ 196.14578142 144.8
[M]- 196.14687858 144.8
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

patents stripe