CID 11804765

2064-02-0

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2(CCC1C2)CO

InChI

InChI=1S/C8H14O/c9-6-8-3-1-7(5-8)2-4-8/h7,9H,1-6H2

InChIKey

HLJSJYHFIJLTAX-UHFFFAOYSA-N

Compound name

1-bicyclo[2.2.1]heptanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 475
Patents: 126.10446 Da
Monoisotopic Mass: 1.6
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	129.5
[M+Na]+	149.09368	136.5
[M-H]-	125.09718	130.9
[M+NH4]+	144.13828	157.9
[M+K]+	165.06762	134.4
[M+H-H2O]+	109.10172	126.1
[M+HCOO]-	171.10266	149.8
[M+CH3COO]-	185.11831	167.6
[M+Na-2H]-	147.07913	134.9
[M]+	126.10391	126.7
[M]-	126.10501	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe