CID 14667951

2,2-dimethylcycloheptan-1-ol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1(CCCCCC1O)C

InChI

InChI=1S/C9H18O/c1-9(2)7-5-3-4-6-8(9)10/h8,10H,3-7H2,1-2H3

InChIKey

OYCABOPCPGTMKL-UHFFFAOYSA-N

Compound name

2,2-dimethylcycloheptan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 142.13577 Da
Monoisotopic Mass: 2.7
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]+	143.14305	126.9
[M+Na]+	165.12499	135.6
[M+NH4]+	160.16959	136.4
[M+K]+	181.09893	130.0
[M-H]-	141.12849	128.5
[M+Na-2H]-	163.11044	133.4
[M]+	142.13522	128.6
[M]-	142.13632	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe