CID 167719088

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

Structural Information

Molecular Formula
C9H14O3
SMILES
C1C(CC12CC(C2)C(=O)O)CO
InChI
InChI=1S/C9H14O3/c10-5-6-1-9(2-6)3-7(4-9)8(11)12/h6-7,10H,1-5H2,(H,11,12)
InChIKey
FCQDDIJDYWQMRR-UHFFFAOYSA-N
Compound name
6-(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

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 132.2
[M+Na]+ 193.083518 135.7
[M-H]- 169.087024 135.1
[M+NH4]+ 188.128123 139.9
[M+K]+ 209.057458 139.8
[M+H-H2O]+ 153.091560 119.6
[M+HCOO]- 215.092501 147.4
[M+CH3COO]- 229.108151 187.5
[M+Na-2H]- 191.068966 135.7
[M]+ 170.09375142 145.9
[M]- 170.09484858 145.9
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.