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]+ 138.066186 135.3
[M+Na]+ 160.048128 147.0
[M-H]- 136.051634 139.1
[M+NH4]+ 155.092733 149.9
[M+K]+ 176.022068 143.7
[M+H-H2O]+ 120.056170 127.0
[M+HCOO]- 182.057111 158.2
[M+CH3COO]- 196.072761 175.2
[M+Na-2H]- 158.033576 141.1
[M]+ 137.05836142 138.1
[M]- 137.05945858 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.