CID 24275322

(1-(2,4-difluorophenyl)pyrrolidin-3-yl)methanamine

Structural Information

Molecular Formula
C11H14F2N2
SMILES
C1CN(CC1CN)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H14F2N2/c12-9-1-2-11(10(13)5-9)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKey
NRJLPUYDGBNNEN-UHFFFAOYSA-N
Compound name
[1-(2,4-difluorophenyl)pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11978 144.4
[M+Na]+ 235.10172 152.3
[M-H]- 211.10522 146.8
[M+NH4]+ 230.14632 163.3
[M+K]+ 251.07566 148.2
[M+H-H2O]+ 195.10976 135.5
[M+HCOO]- 257.11070 164.7
[M+CH3COO]- 271.12635 189.2
[M+Na-2H]- 233.08717 145.6
[M]+ 212.11195 138.1
[M]- 212.11305 138.1
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

No patent data available for this compound.