CID 154853068

2445791-77-3

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CC2C3CC1C(C2C3)C(=O)O
InChI
InChI=1S/C10H14O2/c11-10(12)9-5-1-2-7-6(3-5)4-8(7)9/h5-9H,1-4H2,(H,11,12)
InChIKey
XTGSMMSRCUWUEA-UHFFFAOYSA-N
Compound name
tricyclo[3.3.1.02,7]nonane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 140.3
[M+Na]+ 189.08860 142.6
[M-H]- 165.09210 138.2
[M+NH4]+ 184.13320 158.8
[M+K]+ 205.06254 143.7
[M+H-H2O]+ 149.09664 130.7
[M+HCOO]- 211.09758 147.7
[M+CH3COO]- 225.11323 149.9
[M+Na-2H]- 187.07405 149.0
[M]+ 166.09883 148.9
[M]- 166.09993 148.9
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

No patent data available for this compound.