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]+ 207.12404 145.9
[M+Na]+ 229.10598 154.1
[M-H]- 205.10948 151.5
[M+NH4]+ 224.15058 166.0
[M+K]+ 245.07992 148.2
[M+H-H2O]+ 189.11402 143.3
[M+HCOO]- 251.11496 175.7
[M+CH3COO]- 265.13061 192.3
[M+Na-2H]- 227.09143 152.1
[M]+ 206.11621 146.3
[M]- 206.11731 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.