CID 12302340

Camphocarboxylic acid

Structural Information

Molecular Formula
C11H16O3
SMILES
C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)C(=O)O
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)/t6-,7+,11+/m1/s1
InChIKey
XNMVAVGXJZFTEH-BUYFANAVSA-N
Compound name
(1R,2S,4R)-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

428
Patents

196.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 142.3
[M+Na]+ 219.099158 151.9
[M-H]- 195.102664 144.7
[M+NH4]+ 214.143763 170.6
[M+K]+ 235.073098 149.3
[M+H-H2O]+ 179.107200 140.9
[M+HCOO]- 241.108141 161.3
[M+CH3COO]- 255.123791 182.9
[M+Na-2H]- 217.084606 145.3
[M]+ 196.10939142 143.2
[M]- 196.11048858 143.2
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

patents stripe