CID 65546666

4-(2,2-difluoroethyl)morpholine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11F2NO3
SMILES
C1COCC(N1CC(F)F)C(=O)O
InChI
InChI=1S/C7H11F2NO3/c8-6(9)3-10-1-2-13-4-5(10)7(11)12/h5-6H,1-4H2,(H,11,12)
InChIKey
DBJPPDZFOTXGSE-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethyl)morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0707 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07798 139.1
[M+Na]+ 218.05992 144.6
[M-H]- 194.06342 137.3
[M+NH4]+ 213.10452 154.7
[M+K]+ 234.03386 144.7
[M+H-H2O]+ 178.06796 131.1
[M+HCOO]- 240.06890 153.0
[M+CH3COO]- 254.08455 180.0
[M+Na-2H]- 216.04537 141.4
[M]+ 195.07015 133.6
[M]- 195.07125 133.6
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.