CID 130914695

2490430-31-2

Structural Information

Molecular Formula
C7H12F2N2O2
SMILES
C1CN(CCN1)CC(C(=O)O)(F)F
InChI
InChI=1S/C7H12F2N2O2/c8-7(9,6(12)13)5-11-3-1-10-2-4-11/h10H,1-5H2,(H,12,13)
InChIKey
VZYULGVNJXFDDW-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-piperazin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.08669 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09397 141.3
[M+Na]+ 217.07591 146.0
[M-H]- 193.07941 135.7
[M+NH4]+ 212.12051 156.0
[M+K]+ 233.04985 143.7
[M+H-H2O]+ 177.08395 133.1
[M+HCOO]- 239.08489 152.3
[M+CH3COO]- 253.10054 176.4
[M+Na-2H]- 215.06136 144.8
[M]+ 194.08614 132.1
[M]- 194.08724 132.1
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.