CID 66288619

Ethyl 3-(1-amino-3-methylbutyl)-1h-1,2,4-triazole-5-carboxylate

Structural Information

Molecular Formula
C10H18N4O2
SMILES
CCOC(=O)C1=NNC(=N1)C(CC(C)C)N
InChI
InChI=1S/C10H18N4O2/c1-4-16-10(15)9-12-8(13-14-9)7(11)5-6(2)3/h6-7H,4-5,11H2,1-3H3,(H,12,13,14)
InChIKey
NEGRNXARMXLAPK-UHFFFAOYSA-N
Compound name
ethyl 5-(1-amino-3-methylbutyl)-1H-1,2,4-triazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.14297 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15025 152.9
[M+Na]+ 249.13219 160.1
[M+NH4]+ 244.17679 157.1
[M+K]+ 265.10613 159.5
[M-H]- 225.13569 150.3
[M+Na-2H]- 247.11764 154.3
[M]+ 226.14242 152.5
[M]- 226.14352 152.5
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.