CID 53403835

3,3-difluoropyrrolidin-1-amine

Structural Information

Molecular Formula
C4H8F2N2
SMILES
C1CN(CC1(F)F)N
InChI
InChI=1S/C4H8F2N2/c5-4(6)1-2-8(7)3-4/h1-3,7H2
InChIKey
BACOMIPASUETBB-UHFFFAOYSA-N
Compound name
3,3-difluoropyrrolidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

122.06555 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.072826 118.7
[M+Na]+ 145.054768 127.1
[M-H]- 121.058274 118.1
[M+NH4]+ 140.099373 142.9
[M+K]+ 161.028708 126.1
[M+H-H2O]+ 105.062810 112.0
[M+HCOO]- 167.063751 139.7
[M+CH3COO]- 181.079401 169.9
[M+Na-2H]- 143.040216 123.9
[M]+ 122.06500142 111.7
[M]- 122.06609858 111.7
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

patents stripe