CID 84716064

Spiro[2.3]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2(C1C(=O)O)CC2
InChI
InChI=1S/C7H10O2/c8-6(9)5-1-2-7(5)3-4-7/h5H,1-4H2,(H,8,9)
InChIKey
FUMXCUCATKJSHY-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 128.1
[M+Na]+ 149.05730 135.4
[M+NH4]+ 144.10190 134.7
[M+K]+ 165.03124 132.4
[M-H]- 125.06080 133.4
[M+Na-2H]- 147.04275 134.2
[M]+ 126.06753 130.6
[M]- 126.06863 130.6
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

No patent data available for this compound.