CID 83854874

4,4-difluoro-1-methylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H10F2N2
SMILES
CN1CC(C(C1)(F)F)N
InChI
InChI=1S/C5H10F2N2/c1-9-2-4(8)5(6,7)3-9/h4H,2-3,8H2,1H3
InChIKey
FSULBLIELXRIJS-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

136.0812 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.088476 122.8
[M+Na]+ 159.070418 131.7
[M-H]- 135.073924 122.4
[M+NH4]+ 154.115023 146.8
[M+K]+ 175.044358 130.3
[M+H-H2O]+ 119.078460 116.3
[M+HCOO]- 181.079401 143.4
[M+CH3COO]- 195.095051 174.1
[M+Na-2H]- 157.055866 126.8
[M]+ 136.08065142 116.4
[M]- 136.08174858 116.4
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