CID 45602095

1160246-21-8

Structural Information

Molecular Formula
C9H15F2NO2
SMILES
C1CN(CCC1CC(=O)O)CC(F)F
InChI
InChI=1S/C9H15F2NO2/c10-8(11)6-12-3-1-7(2-4-12)5-9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey
DFUVQEJYNQRCES-UHFFFAOYSA-N
Compound name
2-[1-(2,2-difluoroethyl)piperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10709 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11437 145.0
[M+Na]+ 230.09631 149.6
[M-H]- 206.09981 142.2
[M+NH4]+ 225.14091 161.5
[M+K]+ 246.07025 147.9
[M+H-H2O]+ 190.10435 136.9
[M+HCOO]- 252.10529 158.9
[M+CH3COO]- 266.12094 183.9
[M+Na-2H]- 228.08176 145.3
[M]+ 207.10654 138.1
[M]- 207.10764 138.1
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.