CID 155819878

3-[(dimethylamino)methyl]-4,4-difluorobutanoic acid hydrochloride

Structural Information

Molecular Formula
C7H13F2NO2
SMILES
CN(C)CC(CC(=O)O)C(F)F
InChI
InChI=1S/C7H13F2NO2/c1-10(2)4-5(7(8)9)3-6(11)12/h5,7H,3-4H2,1-2H3,(H,11,12)
InChIKey
QYFMOIKKGBNVHZ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-4,4-difluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09143 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.098706 138.4
[M+Na]+ 204.080648 143.8
[M-H]- 180.084154 135.9
[M+NH4]+ 199.125253 157.7
[M+K]+ 220.054588 144.6
[M+H-H2O]+ 164.088690 131.4
[M+HCOO]- 226.089631 157.5
[M+CH3COO]- 240.105281 187.0
[M+Na-2H]- 202.066096 138.9
[M]+ 181.09088142 136.4
[M]- 181.09197858 136.4
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.