CID 92869

Spiro[5.6]dodecan-7-ol

Structural Information

Molecular Formula
C12H22O
SMILES
C1CCC(C2(CC1)CCCCC2)O
InChI
InChI=1S/C12H22O/c13-11-7-3-1-4-8-12(11)9-5-2-6-10-12/h11,13H,1-10H2
InChIKey
KZSZWINZIRXXGT-UHFFFAOYSA-N
Compound name
spiro[5.6]dodecan-12-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 141.3
[M+Na]+ 205.15629 142.1
[M-H]- 181.15979 144.9
[M+NH4]+ 200.20089 160.7
[M+K]+ 221.13023 143.0
[M+H-H2O]+ 165.16433 136.3
[M+HCOO]- 227.16527 155.8
[M+CH3COO]- 241.18092 151.2
[M+Na-2H]- 203.14174 145.0
[M]+ 182.16652 128.9
[M]- 182.16762 128.9
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.