CID 83872252

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

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CC1N2C=NN=C2C=O
InChI
InChI=1S/C6H7N3O/c10-3-6-8-7-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKey
AZNXERIJHYHENT-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 135.3
[M+Na]+ 160.04813 147.0
[M-H]- 136.05163 139.1
[M+NH4]+ 155.09273 149.9
[M+K]+ 176.02207 143.7
[M+H-H2O]+ 120.05617 127.0
[M+HCOO]- 182.05711 158.2
[M+CH3COO]- 196.07276 175.2
[M+Na-2H]- 158.03358 141.1
[M]+ 137.05836 138.1
[M]- 137.05946 138.1
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.