CID 16225633

6-(hydroxymethyl)spiro[3.3]heptan-2-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C(CC12CC(=O)C2)CO
InChI
InChI=1S/C8H12O2/c9-5-6-1-8(2-6)3-7(10)4-8/h6,9H,1-5H2
InChIKey
MDJBRZGNSXRIMQ-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)spiro[3.3]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

140.08372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 120.2
[M+Na]+ 163.07294 125.3
[M-H]- 139.07644 124.8
[M+NH4]+ 158.11754 130.1
[M+K]+ 179.04688 129.4
[M+H-H2O]+ 123.08098 108.3
[M+HCOO]- 185.08192 138.1
[M+CH3COO]- 199.09757 184.5
[M+Na-2H]- 161.05839 126.4
[M]+ 140.08317 134.8
[M]- 140.08427 134.8
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