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]+ 183.16043 145.3
[M+Na]+ 205.14237 151.6
[M-H]- 181.14587 143.0
[M+NH4]+ 200.18697 161.9
[M+K]+ 221.11631 149.3
[M+H-H2O]+ 165.15041 137.6
[M+HCOO]- 227.15135 163.0
[M+CH3COO]- 241.16700 181.7
[M+Na-2H]- 203.12782 149.4
[M]+ 182.15260 142.6
[M]- 182.15370 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.