CID 84048374

Spiro[3.4]octane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCC2(C1)CCC2C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)7-3-6-9(7)4-1-2-5-9/h7H,1-6H2,(H,10,11)
InChIKey
JENJORDSBUMYGO-UHFFFAOYSA-N
Compound name
spiro[3.4]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.3
[M+Na]+ 177.08860 139.3
[M+NH4]+ 172.13320 141.2
[M+K]+ 193.06254 136.4
[M-H]- 153.09210 133.5
[M+Na-2H]- 175.07405 137.6
[M]+ 154.09883 134.0
[M]- 154.09993 134.0
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.