CID 53474190

1-(2-methylphenyl)-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H9N3O
SMILES
CC1=CC=CC=C1N2C=C(N=N2)C=O
InChI
InChI=1S/C10H9N3O/c1-8-4-2-3-5-10(8)13-6-9(7-14)11-12-13/h2-7H,1H3
InChIKey
WPJBXOSILFTYIO-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

187.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.08183 138.3
[M+Na]+ 210.06377 148.9
[M-H]- 186.06727 141.8
[M+NH4]+ 205.10837 155.9
[M+K]+ 226.03771 145.6
[M+H-H2O]+ 170.07181 129.7
[M+HCOO]- 232.07275 161.3
[M+CH3COO]- 246.08840 181.6
[M+Na-2H]- 208.04922 144.4
[M]+ 187.07400 139.8
[M]- 187.07510 139.8
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