CID 21116250

18444-89-8

Structural Information

Molecular Formula
C16H24O2
SMILES
CC1([C@@H]2CC[C@@]3(C2)[C@@H](C1=C)CC[C@@H]3C(=O)OC)C
InChI
InChI=1S/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,16-/m1/s1
InChIKey
DZVKVIGAEDEAIN-BRXULGCHSA-N
Compound name
methyl (1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

248.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 160.6
[M+Na]+ 271.16685 168.4
[M+NH4]+ 266.21145 172.4
[M+K]+ 287.14079 162.1
[M-H]- 247.17035 161.2
[M+Na-2H]- 269.15230 162.6
[M]+ 248.17708 161.9
[M]- 248.17818 161.9
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