CID 165632502

2,2-difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride

Structural Information

Molecular Formula
C8H13F2NO3
SMILES
C1COCCN1CCC(C(=O)O)(F)F
InChI
InChI=1S/C8H13F2NO3/c9-8(10,7(12)13)1-2-11-3-5-14-6-4-11/h1-6H2,(H,12,13)
InChIKey
DXVUWTKTOKYNTP-UHFFFAOYSA-N
Compound name
2,2-difluoro-4-morpholin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08635 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09363 143.3
[M+Na]+ 232.07557 148.0
[M-H]- 208.07907 141.1
[M+NH4]+ 227.12017 158.2
[M+K]+ 248.04951 147.9
[M+H-H2O]+ 192.08361 135.4
[M+HCOO]- 254.08455 156.2
[M+CH3COO]- 268.10020 181.3
[M+Na-2H]- 230.06102 147.8
[M]+ 209.08580 137.9
[M]- 209.08690 137.9
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.