CID 11018862

422318-76-1

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC12C(C23CC3)CO
InChI
InChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2
InChIKey
URYINZIMUWFPJK-UHFFFAOYSA-N
Compound name
dispiro[2.0.24.13]heptan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

124.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 159.0
[M+Na]+ 147.07803 163.4
[M-H]- 123.08153 164.8
[M+NH4]+ 142.12263 165.0
[M+K]+ 163.05197 166.6
[M+H-H2O]+ 107.08607 156.4
[M+HCOO]- 169.08701 171.2
[M+CH3COO]- 183.10266 165.6
[M+Na-2H]- 145.06348 160.9
[M]+ 124.08826 162.3
[M]- 124.08936 162.3
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