CID 155822523

2-{spiro[2.4]heptan-4-yl}ethan-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
C1CC(C2(C1)CC2)CCO
InChI
InChI=1S/C9H16O/c10-7-3-8-2-1-4-9(8)5-6-9/h8,10H,1-7H2
InChIKey
ICFFQCJHXDZWMT-UHFFFAOYSA-N
Compound name
2-spiro[2.4]heptan-7-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.0
[M+Na]+ 163.10934 139.3
[M-H]- 139.11284 136.0
[M+NH4]+ 158.15394 151.0
[M+K]+ 179.08328 137.1
[M+H-H2O]+ 123.11738 126.5
[M+HCOO]- 185.11832 151.8
[M+CH3COO]- 199.13397 173.8
[M+Na-2H]- 161.09479 136.6
[M]+ 140.11957 130.6
[M]- 140.12067 130.6
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.