CID 21308

5240-72-2

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2CC1CC2CO

InChI

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

InChIKey

LWHKUVOYICRGGR-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanylmethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1245
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	128.8
[M+Na]+	149.09368	135.7
[M-H]-	125.09718	130.2
[M+NH4]+	144.13828	155.5
[M+K]+	165.06762	133.7
[M+H-H2O]+	109.10172	125.1
[M+HCOO]-	171.10266	149.1
[M+CH3COO]-	185.11831	169.1
[M+Na-2H]-	147.07913	132.6
[M]+	126.10391	126.1
[M]-	126.10501	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe