CID 155822848

2567502-89-8

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CC2(C1)CC3(C2)CC(C3)CC(=O)O
InChI
InChI=1S/C12H18O2/c13-10(14)4-9-5-12(6-9)7-11(8-12)2-1-3-11/h9H,1-8H2,(H,13,14)
InChIKey
VYLWEGXIHCRVIJ-UHFFFAOYSA-N
Compound name
2-dispiro[3.1.36.14]decan-8-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 135.3
[M+Na]+ 217.11990 137.6
[M-H]- 193.12340 140.8
[M+NH4]+ 212.16450 138.5
[M+K]+ 233.09384 142.6
[M+H-H2O]+ 177.12794 121.7
[M+HCOO]- 239.12888 147.8
[M+CH3COO]- 253.14453 207.2
[M+Na-2H]- 215.10535 139.2
[M]+ 194.13013 154.1
[M]- 194.13123 154.1
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.