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]+ 155.092736 132.9
[M+Na]+ 177.074678 141.1
[M-H]- 153.078184 129.1
[M+NH4]+ 172.119283 149.9
[M+K]+ 193.048618 138.0
[M+H-H2O]+ 137.082720 124.9
[M+HCOO]- 199.083661 148.1
[M+CH3COO]- 213.099311 144.1
[M+Na-2H]- 175.060126 139.2
[M]+ 154.08491142 128.6
[M]- 154.08600858 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.