CID 66489697

1259063-08-5

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1CCN2C(=NN=C2CO)C1
InChI
InChI=1S/C7H11N3O/c11-5-7-9-8-6-3-1-2-4-10(6)7/h11H,1-5H2
InChIKey
NWGCJPPWQVPERJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 131.8
[M+Na]+ 176.07943 139.9
[M-H]- 152.08293 130.6
[M+NH4]+ 171.12403 151.0
[M+K]+ 192.05337 137.7
[M+H-H2O]+ 136.08747 124.2
[M+HCOO]- 198.08841 149.6
[M+CH3COO]- 212.10406 144.1
[M+Na-2H]- 174.06488 138.2
[M]+ 153.08966 129.2
[M]- 153.09076 129.2
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.