CID 134714852

2002815-12-3

Structural Information

Molecular Formula
C9H16O
SMILES
C1CC(CC2(C1)CC2)CO
InChI
InChI=1S/C9H16O/c10-7-8-2-1-3-9(6-8)4-5-9/h8,10H,1-7H2
InChIKey
KNJCNJRKRPUJKJ-UHFFFAOYSA-N
Compound name
spiro[2.5]octan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 131.8
[M+Na]+ 163.109338 139.1
[M-H]- 139.112844 136.7
[M+NH4]+ 158.153943 150.0
[M+K]+ 179.083278 137.5
[M+H-H2O]+ 123.117380 126.8
[M+HCOO]- 185.118321 150.8
[M+CH3COO]- 199.133971 174.0
[M+Na-2H]- 161.094786 138.6
[M]+ 140.11957142 129.4
[M]- 140.12066858 129.4
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.