CID 135392693

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

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CC2(CCC1C(=O)O)CC(=O)C2
InChI
InChI=1S/C10H14O3/c11-8-5-10(6-8)3-1-7(2-4-10)9(12)13/h7H,1-6H2,(H,12,13)
InChIKey
YVLFKKBAGHKEGK-UHFFFAOYSA-N
Compound name
2-oxospiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.101576 136.5
[M+Na]+ 205.083518 140.9
[M-H]- 181.087024 140.3
[M+NH4]+ 200.128123 151.2
[M+K]+ 221.057458 142.3
[M+H-H2O]+ 165.091560 127.1
[M+HCOO]- 227.092501 153.1
[M+CH3COO]- 241.108151 180.8
[M+Na-2H]- 203.068966 140.3
[M]+ 182.09375142 140.2
[M]- 182.09484858 140.2
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