CID 90000451

1227808-08-3

Structural Information

Molecular Formula

C₇H₁₃F₂NO

SMILES

C1CC(CCC1(CN)O)(F)F

InChI

InChI=1S/C7H13F2NO/c8-7(9)3-1-6(11,5-10)2-4-7/h11H,1-5,10H2

InChIKey

IDKMZTVFJQPUIC-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 165.09653 Da
Monoisotopic Mass: 0.4
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]+	166.10381	132.4
[M+Na]+	188.08575	139.2
[M-H]-	164.08925	131.5
[M+NH4]+	183.13035	155.7
[M+K]+	204.05969	137.3
[M+H-H2O]+	148.09379	127.1
[M+HCOO]-	210.09473	150.2
[M+CH3COO]-	224.11038	175.9
[M+Na-2H]-	186.07120	137.8
[M]+	165.09598	123.8
[M]-	165.09708	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe