CID 162341900

4h,5h,6h-pyrrolo[1,2-c][1,2,3]triazole-3-carbaldehyde

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CC2=C(N=NN2C1)C=O
InChI
InChI=1S/C6H7N3O/c10-4-5-6-2-1-3-9(6)8-7-5/h4H,1-3H2
InChIKey
NMFGKYYJNYKBSO-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[1,2-c]triazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.05891 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.9
[M+Na]+ 160.04813 136.0
[M-H]- 136.05163 126.8
[M+NH4]+ 155.09273 148.2
[M+K]+ 176.02207 134.7
[M+H-H2O]+ 120.05617 118.7
[M+HCOO]- 182.05711 147.9
[M+CH3COO]- 196.07276 140.1
[M+Na-2H]- 158.03358 131.5
[M]+ 137.05836 126.3
[M]- 137.05946 126.3
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.