CID 115013721

2-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC2(C1)CC(C2)(CO)C(=O)O
InChI
InChI=1S/C9H14O3/c10-6-9(7(11)12)4-8(5-9)2-1-3-8/h10H,1-6H2,(H,11,12)
InChIKey
UGUVKYHLIXHRDX-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)spiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 145.3
[M+Na]+ 193.08352 144.9
[M+NH4]+ 188.12812 147.1
[M+K]+ 209.05746 141.6
[M-H]- 169.08702 140.2
[M+Na-2H]- 191.06897 145.7
[M]+ 170.09375 141.6
[M]- 170.09485 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.