CID 72208132

(3,3-difluoro-1-methylcyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

CC1(CC(C1)(F)F)CN

InChI

InChI=1S/C6H11F2N/c1-5(4-9)2-6(7,8)3-5/h2-4,9H2,1H3

InChIKey

XYASTYBRCNJHIM-UHFFFAOYSA-N

Compound name

(3,3-difluoro-1-methylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 135.08595 Da
Monoisotopic Mass: 1.1
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]+	136.09323	127.6
[M+Na]+	158.07517	135.1
[M-H]-	134.07867	129.0
[M+NH4]+	153.11977	146.5
[M+K]+	174.04911	136.5
[M+H-H2O]+	118.08321	118.5
[M+HCOO]-	180.08415	147.9
[M+CH3COO]-	194.09980	178.7
[M+Na-2H]-	156.06062	133.6
[M]+	135.08540	131.5
[M]-	135.08650	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe