CID 79903936

5-oxaspiro[3.5]nonane-8-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC2(C1)CC(CCO2)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8(11)7-2-5-12-9(6-7)3-1-4-9/h7H,1-6H2,(H,10,11)
InChIKey
HQXAMOGHZYMCPZ-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.5]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 131.3
[M+Na]+ 193.083518 135.0
[M-H]- 169.087024 135.6
[M+NH4]+ 188.128123 145.1
[M+K]+ 209.057458 138.4
[M+H-H2O]+ 153.091560 121.9
[M+HCOO]- 215.092501 147.3
[M+CH3COO]- 229.108151 177.6
[M+Na-2H]- 191.068966 137.5
[M]+ 170.09375142 135.6
[M]- 170.09484858 135.6
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

patents stripe