CID 57771361

Spiro[3.4]octan-6-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC2(C1)CCC(C2)O
InChI
InChI=1S/C8H14O/c9-7-2-5-8(6-7)3-1-4-8/h7,9H,1-6H2
InChIKey
HWJDSQNWVRULIH-UHFFFAOYSA-N
Compound name
spiro[3.4]octan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 123.3
[M+Na]+ 149.09368 128.6
[M-H]- 125.09718 127.7
[M+NH4]+ 144.13828 142.3
[M+K]+ 165.06762 129.7
[M+H-H2O]+ 109.10172 115.1
[M+HCOO]- 171.10266 143.2
[M+CH3COO]- 185.11831 170.4
[M+Na-2H]- 147.07913 128.9
[M]+ 126.10391 127.3
[M]- 126.10501 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe