CID 145867423

2375260-03-8

Structural Information

Molecular Formula
C8H15F2NO2
SMILES
CCC(CC(=O)OCC)(C(F)F)N
InChI
InChI=1S/C8H15F2NO2/c1-3-8(11,7(9)10)5-6(12)13-4-2/h7H,3-5,11H2,1-2H3
InChIKey
VHHHQBVKUOOUPX-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3-(difluoromethyl)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10709 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11437 142.5
[M+Na]+ 218.09631 148.4
[M-H]- 194.09981 139.5
[M+NH4]+ 213.14091 161.4
[M+K]+ 234.07025 148.1
[M+H-H2O]+ 178.10435 135.9
[M+HCOO]- 240.10529 161.1
[M+CH3COO]- 254.12094 187.2
[M+Na-2H]- 216.08176 144.7
[M]+ 195.10654 140.5
[M]- 195.10764 140.5
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.