CID 146049949

2385559-41-9

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CC12CC3(C2)CC(C3)C(=O)O
InChI
InChI=1S/C10H14O2/c11-8(12)7-3-10(4-7)5-9(6-10)1-2-9/h7H,1-6H2,(H,11,12)
InChIKey
VOXQGXUPSPUPFI-UHFFFAOYSA-N
Compound name
dispiro[2.1.35.13]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 131.9
[M+Na]+ 189.08860 138.0
[M-H]- 165.09210 139.1
[M+NH4]+ 184.13320 138.7
[M+K]+ 205.06254 141.9
[M+H-H2O]+ 149.09664 121.1
[M+HCOO]- 211.09758 147.8
[M+CH3COO]- 225.11323 191.4
[M+Na-2H]- 187.07405 137.9
[M]+ 166.09883 147.6
[M]- 166.09993 147.6
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.