CID 2060087

3-(5-amino-4h-1,2,4-triazol-3-yl)propan-1-ol

Structural Information

Molecular Formula
C5H10N4O
SMILES
C(CC1=NC(=NN1)N)CO
InChI
InChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9)
InChIKey
JCYHSFGSMIVOPG-UHFFFAOYSA-N
Compound name
3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

20
Patents

142.08546 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09274 129.0
[M+Na]+ 165.07468 137.2
[M-H]- 141.07818 125.7
[M+NH4]+ 160.11928 146.5
[M+K]+ 181.04862 134.5
[M+H-H2O]+ 125.08272 121.5
[M+HCOO]- 187.08366 149.2
[M+CH3COO]- 201.09931 169.9
[M+Na-2H]- 163.06013 134.4
[M]+ 142.08491 125.9
[M]- 142.08601 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe