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

0
Patents

151.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.2
[M+Na]+ 174.06377 139.0
[M-H]- 150.06727 130.4
[M+NH4]+ 169.10837 150.0
[M+K]+ 190.03771 137.0
[M+H-H2O]+ 134.07181 122.4
[M+HCOO]- 196.07275 149.6
[M+CH3COO]- 210.08840 143.2
[M+Na-2H]- 172.04922 137.0
[M]+ 151.07400 128.7
[M]- 151.07510 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

No patent data available for this compound.