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

118
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.0
[M+Na]+ 149.05730 132.0
[M-H]- 125.06080 129.8
[M+NH4]+ 144.10190 136.8
[M+K]+ 165.03124 133.6
[M+H-H2O]+ 109.06534 115.5
[M+HCOO]- 171.06628 144.0
[M+CH3COO]- 185.08193 175.3
[M+Na-2H]- 147.04275 130.8
[M]+ 126.06753 133.1
[M]- 126.06863 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