CID 50896642

N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine

Structural Information

Molecular Formula
C8H16F2N2
SMILES
CN1CCC(CC1)NCC(F)F
InChI
InChI=1S/C8H16F2N2/c1-12-4-2-7(3-5-12)11-6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKey
JYJJBMQMTNTHKY-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12816 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.13544 139.1
[M+Na]+ 201.11738 143.7
[M-H]- 177.12088 137.7
[M+NH4]+ 196.16198 157.4
[M+K]+ 217.09132 142.2
[M+H-H2O]+ 161.12542 130.6
[M+HCOO]- 223.12636 156.1
[M+CH3COO]- 237.14201 184.3
[M+Na-2H]- 199.10283 141.9
[M]+ 178.12761 131.4
[M]- 178.12871 131.4
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.