CID 71755876

3-(diethylamino)-2-fluoropropanoic acid hydrochloride

Structural Information

Molecular Formula
C7H14FNO2
SMILES
CCN(CC)CC(C(=O)O)F
InChI
InChI=1S/C7H14FNO2/c1-3-9(4-2)5-6(8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
WSXCHVHNIYVVSW-UHFFFAOYSA-N
Compound name
3-(diethylamino)-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

163.10086 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10814 135.8
[M+Na]+ 186.09008 141.4
[M-H]- 162.09358 134.7
[M+NH4]+ 181.13468 156.1
[M+K]+ 202.06402 142.1
[M+H-H2O]+ 146.09812 129.8
[M+HCOO]- 208.09906 157.0
[M+CH3COO]- 222.11471 183.3
[M+Na-2H]- 184.07553 138.1
[M]+ 163.10031 135.7
[M]- 163.10141 135.7
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.