CID 3004044

Nsc624381

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=CC\2CCC1(C/C2=C(/C)\OC=O)C
InChI
InChI=1S/C13H18O2/c1-9-6-11-4-5-13(9,3)7-12(11)10(2)15-8-14/h6,8,11H,4-5,7H2,1-3H3/b12-10+
InChIKey
FWKPDPWUSHLWRV-ZRDIBKRKSA-N
Compound name
[(1E)-1-(4,5-dimethyl-2-bicyclo[2.2.2]oct-5-enylidene)ethyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 149.2
[M+Na]+ 229.11990 154.8
[M-H]- 205.12340 146.3
[M+NH4]+ 224.16450 174.9
[M+K]+ 245.09384 152.1
[M+H-H2O]+ 189.12794 144.9
[M+HCOO]- 251.12888 160.9
[M+CH3COO]- 265.14453 192.5
[M+Na-2H]- 227.10535 158.5
[M]+ 206.13013 152.5
[M]- 206.13123 152.5
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.