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]+ 143.092736 129.8
[M+Na]+ 165.074678 137.8
[M-H]- 141.078184 126.7
[M+NH4]+ 160.119283 147.3
[M+K]+ 181.048618 135.6
[M+H-H2O]+ 125.082720 122.5
[M+HCOO]- 187.083661 149.1
[M+CH3COO]- 201.099311 170.7
[M+Na-2H]- 163.060126 134.0
[M]+ 142.08491142 126.1
[M]- 142.08600858 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.