CID 62222808

1-(prop-2-yn-1-yl)-1h-imidazole-2-carbaldehyde

Structural Information

Molecular Formula
C7H6N2O
SMILES
C#CCN1C=CN=C1C=O
InChI
InChI=1S/C7H6N2O/c1-2-4-9-5-3-8-7(9)6-10/h1,3,5-6H,4H2
InChIKey
AHOSJXZFHMJEHE-UHFFFAOYSA-N
Compound name
1-prop-2-ynylimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

134.04802 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 127.0
[M+Na]+ 157.03724 138.8
[M+NH4]+ 152.08184 131.1
[M+K]+ 173.01118 131.6
[M-H]- 133.04074 119.0
[M+Na-2H]- 155.02269 129.8
[M]+ 134.04747 125.4
[M]- 134.04857 125.4
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