CID 62135771

4-(1h-imidazol-1-yl)-2-methylbenzaldehyde

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=C(C=CC(=C1)N2C=CN=C2)C=O
InChI
InChI=1S/C11H10N2O/c1-9-6-11(3-2-10(9)7-14)13-5-4-12-8-13/h2-8H,1H3
InChIKey
SGYGODVXSYCHSU-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-2-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

186.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 138.1
[M+Na]+ 209.068538 148.2
[M-H]- 185.072044 142.9
[M+NH4]+ 204.113143 157.2
[M+K]+ 225.042478 144.9
[M+H-H2O]+ 169.076580 130.3
[M+HCOO]- 231.077521 162.1
[M+CH3COO]- 245.093171 181.7
[M+Na-2H]- 207.053986 143.8
[M]+ 186.07877142 139.5
[M]- 186.07986858 139.5
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