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

4
Annotation Hits: 0
References: 1191
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]+	127.111736	128.8
[M+Na]+	149.093678	135.7
[M-H]-	125.097184	130.2
[M+NH4]+	144.138283	155.5
[M+K]+	165.067618	133.7
[M+H-H2O]+	109.101720	125.1
[M+HCOO]-	171.102661	149.1
[M+CH3COO]-	185.118311	169.1
[M+Na-2H]-	147.079126	132.6
[M]+	126.10391142	126.1
[M]-	126.10500858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe