CID 5877243

58437-69-7

Structural Information

Molecular Formula
C13H20O2
SMILES
CC(=O)OC/C=C/1\C2CCC(C2)C1(C)C
InChI
InChI=1S/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3/b12-6+
InChIKey
DVZKEXVVDIXSMK-WUXMJOGZSA-N
Compound name
[(2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 151.7
[M+Na]+ 231.13555 159.2
[M-H]- 207.13905 154.5
[M+NH4]+ 226.18015 178.1
[M+K]+ 247.10949 156.5
[M+H-H2O]+ 191.14359 148.4
[M+HCOO]- 253.14453 171.4
[M+CH3COO]- 267.16018 187.1
[M+Na-2H]- 229.12100 152.8
[M]+ 208.14578 152.6
[M]- 208.14688 152.6
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

No patent data available for this compound.