CID 820137

337957-59-2

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC=C(C=C1)N2C=C(C=N2)C=O
InChI
InChI=1S/C11H10N2O/c1-9-2-4-11(5-3-9)13-7-10(8-14)6-12-13/h2-8H,1H3
InChIKey
LFWZUGUMUQRWIU-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.1
[M+Na]+ 209.06854 148.2
[M-H]- 185.07204 142.9
[M+NH4]+ 204.11314 157.2
[M+K]+ 225.04248 144.9
[M+H-H2O]+ 169.07658 130.3
[M+HCOO]- 231.07752 162.1
[M+CH3COO]- 245.09317 181.7
[M+Na-2H]- 207.05399 143.8
[M]+ 186.07877 139.5
[M]- 186.07987 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

literature stripe

Patent stripe

patents stripe