CID 71758480

(1-methylcycloheptyl)methanol

Structural Information

Molecular Formula

C₉H₁₈O

SMILES

CC1(CCCCCC1)CO

InChI

InChI=1S/C9H18O/c1-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3

InChIKey

QSBHAGWVTQJGHR-UHFFFAOYSA-N

Compound name

(1-methylcycloheptyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 142.13577 Da
Monoisotopic Mass: 2.8
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]+	143.14305	127.6
[M+Na]+	165.12499	136.0
[M+NH4]+	160.16959	137.2
[M+K]+	181.09893	130.2
[M-H]-	141.12849	129.2
[M+Na-2H]-	163.11044	134.3
[M]+	142.13522	129.3
[M]-	142.13632	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe