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]+ 119.09791 122.3
[M+Na]+ 141.07985 128.9
[M-H]- 117.08335 121.2
[M+NH4]+ 136.12445 145.7
[M+K]+ 157.05379 127.1
[M+H-H2O]+ 101.08789 116.3
[M+HCOO]- 163.08883 142.6
[M+CH3COO]- 177.10448 166.5
[M+Na-2H]- 139.06530 127.7
[M]+ 118.09008 114.5
[M]- 118.09118 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