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]+ 220.105606 144.9
[M+Na]+ 242.087548 152.4
[M-H]- 218.091054 144.3
[M+NH4]+ 237.132153 162.0
[M+K]+ 258.061488 150.3
[M+H-H2O]+ 202.095590 135.2
[M+HCOO]- 264.096531 165.3
[M+CH3COO]- 278.112181 195.6
[M+Na-2H]- 240.072996 150.1
[M]+ 219.09778142 140.3
[M]- 219.09887858 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.