CID 165987860

1-ethynyl-4,4-difluoro-n-methylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H13F2N
SMILES
CNC1(CCC(CC1)(F)F)C#C
InChI
InChI=1S/C9H13F2N/c1-3-8(12-2)4-6-9(10,11)7-5-8/h1,12H,4-7H2,2H3
InChIKey
IXDOSZMYOLHMMJ-UHFFFAOYSA-N
Compound name
1-ethynyl-4,4-difluoro-N-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.10161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10889 132.2
[M+Na]+ 196.09083 141.9
[M-H]- 172.09433 132.4
[M+NH4]+ 191.13543 153.7
[M+K]+ 212.06477 137.1
[M+H-H2O]+ 156.09887 121.0
[M+HCOO]- 218.09981 146.5
[M+CH3COO]- 232.11546 189.6
[M+Na-2H]- 194.07628 137.7
[M]+ 173.10106 120.8
[M]- 173.10216 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.