CID 739183

40724-67-2

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C
InChI
InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChIKey
WDODWBQJVMBHCO-LDWIPMOCSA-N
Compound name
(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.1
[M+Na]+ 205.08352 147.5
[M+NH4]+ 200.12812 150.8
[M+K]+ 221.05746 143.3
[M-H]- 181.08702 138.6
[M+Na-2H]- 203.06897 142.7
[M]+ 182.09375 140.6
[M]- 182.09485 140.6
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

patents stripe