CID 6436714

Einecs 261-250-6

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-SDQBBNPISA-N
Compound name
[(2Z)-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]+ 209.153606 151.7
[M+Na]+ 231.135548 159.2
[M-H]- 207.139054 154.5
[M+NH4]+ 226.180153 178.1
[M+K]+ 247.109488 156.5
[M+H-H2O]+ 191.143590 148.4
[M+HCOO]- 253.144531 171.4
[M+CH3COO]- 267.160181 187.1
[M+Na-2H]- 229.120996 152.8
[M]+ 208.14578142 152.6
[M]- 208.14687858 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.