CID 20320775

Spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)6-4-8(5-6)2-1-3-8/h6H,1-5H2,(H,9,10)
InChIKey
FUQHLUSGMOSPRQ-UHFFFAOYSA-N
Compound name
spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 135.7
[M+Na]+ 163.07294 136.3
[M+NH4]+ 158.11754 137.3
[M+K]+ 179.04688 134.0
[M-H]- 139.07644 131.6
[M+Na-2H]- 161.05839 136.1
[M]+ 140.08317 132.4
[M]- 140.08427 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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