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]+ 214.09749 153.3
[M+Na]+ 236.07943 164.7
[M-H]- 212.08293 160.0
[M+NH4]+ 231.12403 164.8
[M+K]+ 252.05337 159.3
[M+H-H2O]+ 196.08747 144.0
[M+HCOO]- 258.08841 176.0
[M+CH3COO]- 272.10406 165.6
[M+Na-2H]- 234.06488 157.7
[M]+ 213.08966 156.1
[M]- 213.09076 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.