CID 90472689

(1s,6r)-7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carboxylic acid

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 135.6
[M+Na]+ 189.08860 145.7
[M-H]- 165.09210 140.2
[M+NH4]+ 184.13320 154.1
[M+K]+ 205.06254 143.3
[M+H-H2O]+ 149.09664 131.5
[M+HCOO]- 211.09758 154.6
[M+CH3COO]- 225.11323 181.7
[M+Na-2H]- 187.07405 141.4
[M]+ 166.09883 137.9
[M]- 166.09993 137.9
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.