CID 19691455

3-(fluoromethyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H11FN2
SMILES
C1CNCC1(CF)N
InChI
InChI=1S/C5H11FN2/c6-3-5(7)1-2-8-4-5/h8H,1-4,7H2
InChIKey
NUVZFMCZBRTWDU-UHFFFAOYSA-N
Compound name
3-(fluoromethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

118.09063 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.097906 122.3
[M+Na]+ 141.079848 128.9
[M-H]- 117.083354 121.2
[M+NH4]+ 136.124453 145.7
[M+K]+ 157.053788 127.1
[M+H-H2O]+ 101.087890 116.3
[M+HCOO]- 163.088831 142.6
[M+CH3COO]- 177.104481 166.5
[M+Na-2H]- 139.065296 127.7
[M]+ 118.09008142 114.5
[M]- 118.09117858 114.5
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