CID 65535966

N5-methyl-n5-(3,3,3-trifluoropropyl)pyridine-2,5-diamine

Structural Information

Molecular Formula
C9H12F3N3
SMILES
CN(CCC(F)(F)F)C1=CN=C(C=C1)N
InChI
InChI=1S/C9H12F3N3/c1-15(5-4-9(10,11)12)7-2-3-8(13)14-6-7/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKey
VLNMRNRXMHDLNV-UHFFFAOYSA-N
Compound name
5-N-methyl-5-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09833 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10561 144.9
[M+Na]+ 242.08755 152.4
[M-H]- 218.09105 144.3
[M+NH4]+ 237.13215 162.0
[M+K]+ 258.06149 150.3
[M+H-H2O]+ 202.09559 135.2
[M+HCOO]- 264.09653 165.3
[M+CH3COO]- 278.11218 195.6
[M+Na-2H]- 240.07300 150.1
[M]+ 219.09778 140.3
[M]- 219.09888 140.3
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.