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

390
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 142.3
[M+Na]+ 219.09916 151.9
[M-H]- 195.10266 144.7
[M+NH4]+ 214.14376 170.6
[M+K]+ 235.07310 149.3
[M+H-H2O]+ 179.10720 140.9
[M+HCOO]- 241.10814 161.3
[M+CH3COO]- 255.12379 182.9
[M+Na-2H]- 217.08461 145.3
[M]+ 196.10939 143.2
[M]- 196.11049 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