CID 2735671

68282-49-5

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCCCC1=NC=C(N1)C=O
InChI
InChI=1S/C8H12N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5-6H,2-4H2,1H3,(H,9,10)
InChIKey
PTHGVOCFAZSNNA-UHFFFAOYSA-N
Compound name
2-butyl-1H-imidazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

152.09496 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 133.5
[M+Na]+ 175.08418 144.6
[M+NH4]+ 170.12878 140.7
[M+K]+ 191.05812 140.4
[M-H]- 151.08768 133.0
[M+Na-2H]- 173.06963 138.2
[M]+ 152.09441 134.6
[M]- 152.09551 134.6
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

patents stripe