CID 45122042

5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1CN2C(=NN=C2CO)CN1
InChI
InChI=1S/C6H10N4O/c11-4-6-9-8-5-3-7-1-2-10(5)6/h7,11H,1-4H2
InChIKey
CDGXEUWHBCAHIJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.9
[M+Na]+ 177.07468 141.1
[M-H]- 153.07818 129.1
[M+NH4]+ 172.11928 149.9
[M+K]+ 193.04862 138.0
[M+H-H2O]+ 137.08272 124.9
[M+HCOO]- 199.08366 148.1
[M+CH3COO]- 213.09931 144.1
[M+Na-2H]- 175.06013 139.2
[M]+ 154.08491 128.6
[M]- 154.08601 128.6
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.