CID 6484676

1-benzyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1=CC=C(C=C1)CN2C=C(C=N2)C=O
InChI
InChI=1S/C11H10N2O/c14-9-11-6-12-13(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChIKey
WOXHPHOZJMLUFE-UHFFFAOYSA-N
Compound name
1-benzylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

186.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.3
[M+Na]+ 209.06854 147.4
[M-H]- 185.07204 142.6
[M+NH4]+ 204.11314 157.0
[M+K]+ 225.04248 144.1
[M+H-H2O]+ 169.07658 130.2
[M+HCOO]- 231.07752 162.3
[M+CH3COO]- 245.09317 180.6
[M+Na-2H]- 207.05399 144.7
[M]+ 186.07877 139.2
[M]- 186.07987 139.2
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