CID 142619

42786-04-9

Structural Information

Molecular Formula
C4H8N4
SMILES
CCN1C=NC(=N1)N
InChI
InChI=1S/C4H8N4/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3,(H2,5,7)
InChIKey
IBUMUBQOWFBTFU-UHFFFAOYSA-N
Compound name
1-ethyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

112.0749 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.4
[M+Na]+ 135.06412 130.0
[M-H]- 111.06762 120.1
[M+NH4]+ 130.10872 140.7
[M+K]+ 151.03806 129.0
[M+H-H2O]+ 95.072160 112.9
[M+HCOO]- 157.07310 143.8
[M+CH3COO]- 171.08875 169.8
[M+Na-2H]- 133.04957 127.4
[M]+ 112.07435 119.4
[M]- 112.07545 119.4
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

patents stripe