CID 388869

Nsc684062

Structural Information

Molecular Formula
C10H14N4O
SMILES
CCC1=NNC(=O)N1N2C(=CC=C2C)C
InChI
InChI=1S/C10H14N4O/c1-4-9-11-12-10(15)14(9)13-7(2)5-6-8(13)3/h5-6H,4H2,1-3H3,(H,12,15)
InChIKey
IAEPBIXACNQAEC-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)-3-ethyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 144.0
[M+Na]+ 229.105978 156.6
[M-H]- 205.109484 146.1
[M+NH4]+ 224.150583 161.4
[M+K]+ 245.079918 152.6
[M+H-H2O]+ 189.114020 135.9
[M+HCOO]- 251.114961 166.2
[M+CH3COO]- 265.130611 184.5
[M+Na-2H]- 227.091426 146.1
[M]+ 206.11621142 147.2
[M]- 206.11730858 147.2
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.