CID 14872469

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

Structural Information

Molecular Formula
C10H9N3O2
SMILES
COC1=CC=C(C=C1)N2C=C(N=N2)C=O
InChI
InChI=1S/C10H9N3O2/c1-15-10-4-2-9(3-5-10)13-6-8(7-14)11-12-13/h2-7H,1H3
InChIKey
KQTUSCSEMYSWFX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

203.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 141.3
[M+Na]+ 226.05869 151.6
[M-H]- 202.06219 144.7
[M+NH4]+ 221.10329 158.1
[M+K]+ 242.03263 148.9
[M+H-H2O]+ 186.06673 132.5
[M+HCOO]- 248.06767 164.4
[M+CH3COO]- 262.08332 183.6
[M+Na-2H]- 224.04414 147.4
[M]+ 203.06892 144.2
[M]- 203.07002 144.2
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