CID 363361

Nsc628244

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CC2CCC3C2(C3C1)C(=O)O
InChI
InChI=1S/C10H14O2/c11-9(12)10-6-2-1-3-7(10)8(10)5-4-6/h6-8H,1-5H2,(H,11,12)
InChIKey
IKGJMOHMGNULGI-UHFFFAOYSA-N
Compound name
tricyclo[4.3.0.02,9]nonane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 137.0
[M+Na]+ 189.08860 145.6
[M-H]- 165.09210 140.7
[M+NH4]+ 184.13320 157.7
[M+K]+ 205.06254 142.4
[M+H-H2O]+ 149.09664 133.0
[M+HCOO]- 211.09758 153.3
[M+CH3COO]- 225.11323 180.2
[M+Na-2H]- 187.07405 142.4
[M]+ 166.09883 137.3
[M]- 166.09993 137.3
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.