CID 65362660

4,4-dimethyl-1-(4h-1,2,4-triazol-3-yl)pentan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H18N4
SMILES
CC(C)(C)CCC(C1=NC=NN1)N
InChI
InChI=1S/C9H18N4/c1-9(2,3)5-4-7(10)8-11-6-12-13-8/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKey
PXVPFZYLGGUSMK-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.15315 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.160426 145.3
[M+Na]+ 205.142368 151.6
[M-H]- 181.145874 143.0
[M+NH4]+ 200.186973 161.9
[M+K]+ 221.116308 149.3
[M+H-H2O]+ 165.150410 137.6
[M+HCOO]- 227.151351 163.0
[M+CH3COO]- 241.167001 181.7
[M+Na-2H]- 203.127816 149.4
[M]+ 182.15260142 142.6
[M]- 182.15369858 142.6
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.