CID 80473250

1500493-15-1

Structural Information

Molecular Formula
C10H14N4O
SMILES
CCN1C(=CC(=C1C)C(=O)CN=[N+]=[N-])C
InChI
InChI=1S/C10H14N4O/c1-4-14-7(2)5-9(8(14)3)10(15)6-12-13-11/h5H,4,6H2,1-3H3
InChIKey
DVWDDDFYXDONNC-UHFFFAOYSA-N
Compound name
2-azido-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11676 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 145.9
[M+Na]+ 229.105978 154.1
[M-H]- 205.109484 151.5
[M+NH4]+ 224.150583 166.0
[M+K]+ 245.079918 148.2
[M+H-H2O]+ 189.114020 143.3
[M+HCOO]- 251.114961 175.7
[M+CH3COO]- 265.130611 192.3
[M+Na-2H]- 227.091426 152.1
[M]+ 206.11621142 146.3
[M]- 206.11730858 146.3
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.