CID 86758

474-98-6

Structural Information

Molecular Formula
C11H16O3
SMILES
CC1(C2CCC1(C(=O)C2C(=O)O)C)C
InChI
InChI=1S/C11H16O3/c1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKey
XNMVAVGXJZFTEH-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

270
Patents

196.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 143.5
[M+Na]+ 219.09916 151.0
[M+NH4]+ 214.14376 154.0
[M+K]+ 235.07310 146.8
[M-H]- 195.10266 141.9
[M+Na-2H]- 217.08461 145.6
[M]+ 196.10939 144.0
[M]- 196.11049 144.0
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