CID 61346134

4-(dimethyl-1h-1,2,4-triazol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC1=NN(C(=N1)C)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H11N3O/c1-8-12-9(2)14(13-8)11-5-3-10(7-15)4-6-11/h3-7H,1-2H3
InChIKey
YVOZRAZVAAKGRC-UHFFFAOYSA-N
Compound name
4-(3,5-dimethyl-1,2,4-triazol-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.9
[M+Na]+ 224.079428 153.9
[M-H]- 200.082934 146.5
[M+NH4]+ 219.124033 160.2
[M+K]+ 240.053368 150.3
[M+H-H2O]+ 184.087470 134.4
[M+HCOO]- 246.088411 165.5
[M+CH3COO]- 260.104061 185.7
[M+Na-2H]- 222.064876 147.7
[M]+ 201.08966142 145.1
[M]- 201.09075858 145.1
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

No patent data available for this compound.