CID 154699939

Ns00117658

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CCN1C(=O)N(N=N1)CC=O
InChI
InChI=1S/C5H8N4O2/c1-2-8-5(11)9(3-4-10)7-6-8/h4H,2-3H2,1H3
InChIKey
RWVLUTFSOYZBDA-UHFFFAOYSA-N
Compound name
2-(4-ethyl-5-oxotetrazol-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.06473 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.072006 129.2
[M+Na]+ 179.053948 140.6
[M-H]- 155.057454 128.2
[M+NH4]+ 174.098553 146.9
[M+K]+ 195.027888 139.3
[M+H-H2O]+ 139.061990 121.2
[M+HCOO]- 201.062931 151.2
[M+CH3COO]- 215.078581 175.3
[M+Na-2H]- 177.039396 135.3
[M]+ 156.06418142 132.6
[M]- 156.06527858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.