CID 94191710

2193051-86-2

Structural Information

Molecular Formula
C5H10N4O
SMILES
CC1=NC(=NN1)[C@@H](CO)N
InChI
InChI=1S/C5H10N4O/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)/t4-/m1/s1
InChIKey
YEVKFHNOMPTMPB-SCSAIBSYSA-N
Compound name
(2S)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.08546 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09274 129.8
[M+Na]+ 165.07468 137.8
[M-H]- 141.07818 126.7
[M+NH4]+ 160.11928 147.3
[M+K]+ 181.04862 135.6
[M+H-H2O]+ 125.08272 122.5
[M+HCOO]- 187.08366 149.1
[M+CH3COO]- 201.09931 170.7
[M+Na-2H]- 163.06013 134.0
[M]+ 142.08491 126.1
[M]- 142.08601 126.1
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.