CID 12566527

73600-35-8

Structural Information

Molecular Formula

C₁₁H₁₇F₂N

SMILES

C1C2CC3(CC1(CC(C2)(C3)F)CN)F

InChI

InChI=1S/C11H17F2N/c12-10-2-8-1-9(4-10,7-14)5-11(13,3-8)6-10/h8H,1-7,14H2

InChIKey

CBFYPKRFHAKYKS-UHFFFAOYSA-N

Compound name

(3,5-difluoro-1-adamantyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.1329 Da
Monoisotopic Mass: 1.6
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]+	202.14018	148.6
[M+Na]+	224.12212	153.6
[M-H]-	200.12562	141.8
[M+NH4]+	219.16672	177.8
[M+K]+	240.09606	148.9
[M+H-H2O]+	184.13016	140.2
[M+HCOO]-	246.13110	154.5
[M+CH3COO]-	260.14675	157.3
[M+Na-2H]-	222.10757	159.7
[M]+	201.13235	144.7
[M]-	201.13345	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe