CID 55015017

1-(4-methylphenyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-amine

Structural Information

Molecular Formula
C13H18N4
SMILES
CCC(C(C1=CC=C(C=C1)C)N2C=NC=N2)N
InChI
InChI=1S/C13H18N4/c1-3-12(14)13(17-9-15-8-16-17)11-6-4-10(2)5-7-11/h4-9,12-13H,3,14H2,1-2H3
InChIKey
JPFGKUSWXVKIDE-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15315 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.160426 154.4
[M+Na]+ 253.142368 160.9
[M-H]- 229.145874 156.7
[M+NH4]+ 248.186973 169.3
[M+K]+ 269.116308 157.5
[M+H-H2O]+ 213.150410 144.9
[M+HCOO]- 275.151351 174.4
[M+CH3COO]- 289.167001 194.1
[M+Na-2H]- 251.127816 156.9
[M]+ 230.15260142 153.0
[M]- 230.15369858 153.0
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.