CID 24275322

1017428-61-3

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]+ 213.119776 144.4
[M+Na]+ 235.101718 152.3
[M-H]- 211.105224 146.8
[M+NH4]+ 230.146323 163.3
[M+K]+ 251.075658 148.2
[M+H-H2O]+ 195.109760 135.5
[M+HCOO]- 257.110701 164.7
[M+CH3COO]- 271.126351 189.2
[M+Na-2H]- 233.087166 145.6
[M]+ 212.11195142 138.1
[M]- 212.11304858 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.