CID 90472689

498-12-4

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1([C@H]2[C@@H]1CC(=CC2)C(=O)O)C
InChI
InChI=1S/C10H14O2/c1-10(2)7-4-3-6(9(11)12)5-8(7)10/h3,7-8H,4-5H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
CKSIWMCJGLFKSZ-SFYZADRCSA-N
Compound name
(1S,6R)-7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carboxylic 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 136.8
[M+Na]+ 189.08860 149.5
[M+NH4]+ 184.13320 147.5
[M+K]+ 205.06254 143.8
[M-H]- 165.09210 145.1
[M+Na-2H]- 187.07405 144.7
[M]+ 166.09883 142.2
[M]- 166.09993 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.