CID 126972561

1-[2-(azetidin-1-yl)-6-fluorophenyl]methanamine

Structural Information

Molecular Formula
C10H13FN2
SMILES
C1CN(C1)C2=C(C(=CC=C2)F)CN
InChI
InChI=1S/C10H13FN2/c11-9-3-1-4-10(8(9)7-12)13-5-2-6-13/h1,3-4H,2,5-7,12H2
InChIKey
XVRDXQYKIKPOCU-UHFFFAOYSA-N
Compound name
[2-(azetidin-1-yl)-6-fluorophenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.10628 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.113556 137.4
[M+Na]+ 203.095498 144.0
[M-H]- 179.099004 140.9
[M+NH4]+ 198.140103 149.4
[M+K]+ 219.069438 143.9
[M+H-H2O]+ 163.103540 124.1
[M+HCOO]- 225.104481 157.9
[M+CH3COO]- 239.120131 187.4
[M+Na-2H]- 201.080946 142.0
[M]+ 180.10573142 141.9
[M]- 180.10682858 141.9
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.