CID 121232747

Dtxsid5051315

Structural Information

Molecular Formula
C13H20O2
SMILES
CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@@H]1C(C)C)C=C2
InChI
InChI=1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKey
HJEFAEQTNTXLHL-RHYQMDGZSA-N
Compound name
ethyl (1R,2S,3S,4S)-3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

239
Patents

208.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 152.8
[M+Na]+ 231.13555 159.5
[M-H]- 207.13905 155.7
[M+NH4]+ 226.18015 177.1
[M+K]+ 247.10949 157.9
[M+H-H2O]+ 191.14359 148.6
[M+HCOO]- 253.14453 172.7
[M+CH3COO]- 267.16018 189.6
[M+Na-2H]- 229.12100 152.3
[M]+ 208.14578 154.9
[M]- 208.14688 154.9
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