CID 115011297

3-(difluoromethyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H10F2N2
SMILES
C1CNCC1(C(F)F)N
InChI
InChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2
InChIKey
KBSGIOQDTRBZCD-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

136.0812 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.088476 125.3
[M+Na]+ 159.070418 131.6
[M-H]- 135.073924 122.8
[M+NH4]+ 154.115023 147.8
[M+K]+ 175.044358 129.8
[M+H-H2O]+ 119.078460 118.4
[M+HCOO]- 181.079401 143.4
[M+CH3COO]- 195.095051 170.1
[M+Na-2H]- 157.055866 128.8
[M]+ 136.08065142 115.6
[M]- 136.08174858 115.6
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