CID 83670258

(3,3-difluorocyclohexyl)methanamine

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

C1CC(CC(C1)(F)F)CN

InChI

InChI=1S/C7H13F2N/c8-7(9)3-1-2-6(4-7)5-10/h6H,1-5,10H2

InChIKey

KUHHSYYOTFOMJB-UHFFFAOYSA-N

Compound name

(3,3-difluorocyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 149.10161 Da
Monoisotopic Mass: 1.4
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]+	150.10889	132.1
[M+Na]+	172.09083	140.6
[M+NH4]+	167.13543	141.3
[M+K]+	188.06477	133.0
[M-H]-	148.09433	131.9
[M+Na-2H]-	170.07628	137.5
[M]+	149.10106	133.1
[M]-	149.10216	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe