CID 118601276

2253632-71-0

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CC(=C(F)F)CCC1N

InChI

InChI=1S/C7H11F2N/c8-7(9)5-1-3-6(10)4-2-5/h6H,1-4,10H2

InChIKey

AKIKJVASSDYYGA-UHFFFAOYSA-N

Compound name

4-(difluoromethylidene)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.08595 Da
Monoisotopic Mass: 0.9
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]+	148.09323	129.4
[M+Na]+	170.07517	134.8
[M-H]-	146.07867	129.3
[M+NH4]+	165.11977	150.0
[M+K]+	186.04911	132.7
[M+H-H2O]+	130.08321	122.4
[M+HCOO]-	192.08415	147.7
[M+CH3COO]-	206.09980	176.4
[M+Na-2H]-	168.06062	131.7
[M]+	147.08540	119.0
[M]-	147.08650	119.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe