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

1
Patents

136.0812 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08848 122.8
[M+Na]+ 159.07042 131.7
[M-H]- 135.07392 122.4
[M+NH4]+ 154.11502 146.8
[M+K]+ 175.04436 130.3
[M+H-H2O]+ 119.07846 116.3
[M+HCOO]- 181.07940 143.4
[M+CH3COO]- 195.09505 174.1
[M+Na-2H]- 157.05587 126.8
[M]+ 136.08065 116.4
[M]- 136.08175 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