CID 62067703

1-(2,2-difluoroethyl)pyrrolidin-3-amine

Structural Information

Molecular Formula
C6H12F2N2
SMILES
C1CN(CC1N)CC(F)F
InChI
InChI=1S/C6H12F2N2/c7-6(8)4-10-2-1-5(9)3-10/h5-6H,1-4,9H2
InChIKey
STFHSLYWFPMOHR-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

150.09685 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.10413 130.0
[M+Na]+ 173.08607 136.3
[M-H]- 149.08957 128.7
[M+NH4]+ 168.13067 150.9
[M+K]+ 189.06001 135.0
[M+H-H2O]+ 133.09411 122.0
[M+HCOO]- 195.09505 149.2
[M+CH3COO]- 209.11070 177.3
[M+Na-2H]- 171.07152 131.5
[M]+ 150.09630 122.6
[M]- 150.09740 122.6
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