CID 84022133

1555857-93-6

Structural Information

Molecular Formula

C₉H₁₇F₂N

SMILES

CNCCC1CCC(CC1)(F)F

InChI

InChI=1S/C9H17F2N/c1-12-7-4-8-2-5-9(10,11)6-3-8/h8,12H,2-7H2,1H3

InChIKey

NOBJTMSESMWSRS-UHFFFAOYSA-N

Compound name

2-(4,4-difluorocyclohexyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.1329 Da
Monoisotopic Mass: 2.3
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]+	178.14018	138.0
[M+Na]+	200.12212	143.3
[M-H]-	176.12562	138.2
[M+NH4]+	195.16672	159.7
[M+K]+	216.09606	141.4
[M+H-H2O]+	160.13016	131.1
[M+HCOO]-	222.13110	157.0
[M+CH3COO]-	236.14675	183.4
[M+Na-2H]-	198.10757	142.6
[M]+	177.13235	131.0
[M]-	177.13345	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe