CID 11769707

Ethyl (2e)-2-[(1r,5s)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]acetate

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(=O)/C=C/1\CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C13H20O2/c1-4-15-12(14)7-9-5-6-10-8-11(9)13(10,2)3/h7,10-11H,4-6,8H2,1-3H3/b9-7+/t10-,11-/m0/s1
InChIKey
BXXNCFZETJIMPC-AHVQJPNGSA-N
Compound name
ethyl (2E)-2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 160.1
[M+Na]+ 231.135548 164.7
[M-H]- 207.139054 159.0
[M+NH4]+ 226.180153 178.8
[M+K]+ 247.109488 165.3
[M+H-H2O]+ 191.143590 151.8
[M+HCOO]- 253.144531 171.8
[M+CH3COO]- 267.160181 195.2
[M+Na-2H]- 229.120996 166.6
[M]+ 208.14578142 172.1
[M]- 208.14687858 172.1
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

No patent data available for this compound.