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]+ 123.07283 118.7
[M+Na]+ 145.05477 127.1
[M-H]- 121.05827 118.1
[M+NH4]+ 140.09937 142.9
[M+K]+ 161.02871 126.1
[M+H-H2O]+ 105.06281 112.0
[M+HCOO]- 167.06375 139.7
[M+CH3COO]- 181.07940 169.9
[M+Na-2H]- 143.04022 123.9
[M]+ 122.06500 111.7
[M]- 122.06610 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