CID 82417361

1493235-24-7

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CCN2C(=NN=C2C=O)C1
InChI
InChI=1S/C7H9N3O/c11-5-7-9-8-6-3-1-2-4-10(6)7/h5H,1-4H2
InChIKey
QVWVMXFYWPHJKL-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.2
[M+Na]+ 174.063768 139.0
[M-H]- 150.067274 130.4
[M+NH4]+ 169.108373 150.0
[M+K]+ 190.037708 137.0
[M+H-H2O]+ 134.071810 122.4
[M+HCOO]- 196.072751 149.6
[M+CH3COO]- 210.088401 143.2
[M+Na-2H]- 172.049216 137.0
[M]+ 151.07400142 128.7
[M]- 151.07509858 128.7
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

patents stripe