CID 64246262

Spiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC12CC(C2)C(=O)O
InChI
InChI=1S/C7H10O2/c8-6(9)5-3-7(4-5)1-2-7/h5H,1-4H2,(H,8,9)
InChIKey
CVBIZOAMGIAMEP-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.0
[M+Na]+ 149.057298 132.0
[M-H]- 125.060804 129.8
[M+NH4]+ 144.101903 136.8
[M+K]+ 165.031238 133.6
[M+H-H2O]+ 109.065340 115.5
[M+HCOO]- 171.066281 144.0
[M+CH3COO]- 185.081931 175.3
[M+Na-2H]- 147.042746 130.8
[M]+ 126.06753142 133.1
[M]- 126.06862858 133.1
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

patents stripe