CID 105433281

1781065-04-0

Structural Information

Molecular Formula
C6H11F2NO2
SMILES
COC(=O)CC(CN)C(F)F
InChI
InChI=1S/C6H11F2NO2/c1-11-5(10)2-4(3-9)6(7)8/h4,6H,2-3,9H2,1H3
InChIKey
IWYJUSIZENZBCU-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)-4,4-difluorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.07579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.08307 134.2
[M+Na]+ 190.06501 140.3
[M-H]- 166.06851 131.3
[M+NH4]+ 185.10961 154.0
[M+K]+ 206.03895 140.5
[M+H-H2O]+ 150.07305 127.4
[M+HCOO]- 212.07399 154.0
[M+CH3COO]- 226.08964 181.7
[M+Na-2H]- 188.05046 135.4
[M]+ 167.07524 131.3
[M]- 167.07634 131.3
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.