CID 31431

Bicyclo(2.2.1)hept-2,5-ylene, bisallyl ether

Structural Information

Molecular Formula
C13H20O2
SMILES
C=CCOC1CC2CC1CC2OCC=C
InChI
InChI=1S/C13H20O2/c1-3-5-14-12-8-11-7-10(12)9-13(11)15-6-4-2/h3-4,10-13H,1-2,5-9H2
InChIKey
NJODMNZNJKQZCB-UHFFFAOYSA-N
Compound name
2,5-bis(prop-2-enoxy)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 151.8
[M+Na]+ 231.135548 158.3
[M-H]- 207.139054 154.0
[M+NH4]+ 226.180153 175.9
[M+K]+ 247.109488 155.2
[M+H-H2O]+ 191.143590 147.3
[M+HCOO]- 253.144531 172.4
[M+CH3COO]- 267.160181 188.2
[M+Na-2H]- 229.120996 152.7
[M]+ 208.14578142 153.1
[M]- 208.14687858 153.1
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