CID 15565289

64170-86-1

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1C[C@H]2C[C@@H](C1)[C@@H](C2)O

InChI

InChI=1S/C8H14O/c9-8-5-6-2-1-3-7(8)4-6/h6-9H,1-5H2/t6-,7+,8+/m0/s1

InChIKey

HNCXRKBVFWLKTR-XLPZGREQSA-N

Compound name

(1S,5R,6R)-bicyclo[3.2.1]octan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	127.11174	125.7
[M+Na]+	149.09368	135.4
[M+NH4]+	144.13828	136.0
[M+K]+	165.06762	130.9
[M-H]-	125.09718	126.8
[M+Na-2H]-	147.07913	128.3
[M]+	126.10391	127.1
[M]-	126.10501	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.