CID 82200134

5-cyclopropyl-1-phenyl-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H11N3O
SMILES
C1CC1C2=C(N=NN2C3=CC=CC=C3)C=O
InChI
InChI=1S/C12H11N3O/c16-8-11-12(9-6-7-9)15(14-13-11)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKey
GINPCOVPHRPCIK-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-phenyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.097486 153.3
[M+Na]+ 236.079428 164.7
[M-H]- 212.082934 160.0
[M+NH4]+ 231.124033 164.8
[M+K]+ 252.053368 159.3
[M+H-H2O]+ 196.087470 144.0
[M+HCOO]- 258.088411 176.0
[M+CH3COO]- 272.104061 165.6
[M+Na-2H]- 234.064876 157.7
[M]+ 213.08966142 156.1
[M]- 213.09075858 156.1
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.