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]+ 182.09871 138.4
[M+Na]+ 204.08065 143.8
[M-H]- 180.08415 135.9
[M+NH4]+ 199.12525 157.7
[M+K]+ 220.05459 144.6
[M+H-H2O]+ 164.08869 131.4
[M+HCOO]- 226.08963 157.5
[M+CH3COO]- 240.10528 187.0
[M+Na-2H]- 202.06610 138.9
[M]+ 181.09088 136.4
[M]- 181.09198 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.