CID 137935914

2-methoxyspiro[3.5]nonane-7-carboxylic acid

Structural Information

Molecular Formula
C11H18O3
SMILES
COC1CC2(C1)CCC(CC2)C(=O)O
InChI
InChI=1S/C11H18O3/c1-14-9-6-11(7-9)4-2-8(3-5-11)10(12)13/h8-9H,2-7H2,1H3,(H,12,13)
InChIKey
LLWGHHKNKRBMFK-UHFFFAOYSA-N
Compound name
2-methoxyspiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1256 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.132876 142.2
[M+Na]+ 221.114818 145.9
[M-H]- 197.118324 145.8
[M+NH4]+ 216.159423 156.4
[M+K]+ 237.088758 147.7
[M+H-H2O]+ 181.122860 132.6
[M+HCOO]- 243.123801 158.3
[M+CH3COO]- 257.139451 184.5
[M+Na-2H]- 219.100266 145.5
[M]+ 198.12505142 146.9
[M]- 198.12614858 146.9
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.