CID 82418579

1330751-98-8

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CC2=NN=C(N2C1)C=O
InChI
InChI=1S/C6H7N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h4H,1-3H2
InChIKey
GUUXIRCMORKOCO-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[2,1-c][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

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 126.8
[M+Na]+ 160.04813 137.6
[M+NH4]+ 155.09273 134.7
[M+K]+ 176.02207 135.9
[M-H]- 136.05163 126.1
[M+Na-2H]- 158.03358 130.9
[M]+ 137.05836 127.8
[M]- 137.05946 127.8
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.