CID 149455832

{spiro[2.4]heptan-4-yl}methanol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC(C2(C1)CC2)CO
InChI
InChI=1S/C8H14O/c9-6-7-2-1-3-8(7)4-5-8/h7,9H,1-6H2
InChIKey
YYNJVLYECTWIGI-UHFFFAOYSA-N
Compound name
spiro[2.4]heptan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 126.8
[M+Na]+ 149.093678 135.5
[M-H]- 125.097184 132.0
[M+NH4]+ 144.138283 147.3
[M+K]+ 165.067618 133.5
[M+H-H2O]+ 109.101720 122.5
[M+HCOO]- 171.102661 147.9
[M+CH3COO]- 185.118311 170.9
[M+Na-2H]- 147.079126 132.9
[M]+ 126.10391142 126.1
[M]- 126.10500858 126.1
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.