CID 61520376

1-(5-fluoropyridin-3-yl)-2-methylpropan-1-amine

Structural Information

Molecular Formula
C9H13FN2
SMILES
CC(C)C(C1=CC(=CN=C1)F)N
InChI
InChI=1S/C9H13FN2/c1-6(2)9(11)7-3-8(10)5-12-4-7/h3-6,9H,11H2,1-2H3
InChIKey
DCTZYGXPPWRBAF-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-3-yl)-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.10628 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11356 136.1
[M+Na]+ 191.09550 143.2
[M-H]- 167.09900 136.7
[M+NH4]+ 186.14010 154.8
[M+K]+ 207.06944 141.2
[M+H-H2O]+ 151.10354 128.6
[M+HCOO]- 213.10448 156.7
[M+CH3COO]- 227.12013 183.7
[M+Na-2H]- 189.08095 139.8
[M]+ 168.10573 132.7
[M]- 168.10683 132.7
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.