CID 130752950

42916-91-6

Structural Information

Molecular Formula
C10H14O2
SMILES
C1C[C@@H]2C=C[C@H]1C[C@H]2CC(=O)O
InChI
InChI=1S/C10H14O2/c11-10(12)6-9-5-7-1-3-8(9)4-2-7/h1,3,7-9H,2,4-6H2,(H,11,12)/t7-,8+,9+/m1/s1
InChIKey
KJSAHDDMVNTSIY-VGMNWLOBSA-N
Compound name
2-[(1S,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 131.0
[M+Na]+ 189.08860 141.0
[M+NH4]+ 184.13320 141.6
[M+K]+ 205.06254 134.6
[M-H]- 165.09210 128.9
[M+Na-2H]- 187.07405 129.5
[M]+ 166.09883 131.6
[M]- 166.09993 131.6
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.