CID 165604872

1-methyl-3-oxospiro[3.3]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O3
SMILES
CC1(CC(=O)C12CCC2)C(=O)O
InChI
InChI=1S/C9H12O3/c1-8(7(11)12)5-6(10)9(8)3-2-4-9/h2-5H2,1H3,(H,11,12)
InChIKey
OCAIBUGRCXSBBI-UHFFFAOYSA-N
Compound name
3-methyl-1-oxospiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 131.9
[M+Na]+ 191.067858 137.0
[M-H]- 167.071364 136.7
[M+NH4]+ 186.112463 142.2
[M+K]+ 207.041798 141.1
[M+H-H2O]+ 151.075900 121.1
[M+HCOO]- 213.076841 148.7
[M+CH3COO]- 227.092491 188.7
[M+Na-2H]- 189.053306 137.0
[M]+ 168.07809142 147.1
[M]- 168.07918858 147.1
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.