CID 45082738

Methyl 2-amino-3-(1h-1,2,4-triazol-1-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C6H10N4O2
SMILES
COC(=O)C(CN1C=NC=N1)N
InChI
InChI=1S/C6H10N4O2/c1-12-6(11)5(7)2-10-4-8-3-9-10/h3-5H,2,7H2,1H3
InChIKey
OBOYXULYXLNOKL-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-(1,2,4-triazol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

170.08037 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 135.0
[M+Na]+ 193.06959 143.6
[M+NH4]+ 188.11419 140.5
[M+K]+ 209.04353 142.6
[M-H]- 169.07309 133.3
[M+Na-2H]- 191.05504 138.7
[M]+ 170.07982 135.1
[M]- 170.08092 135.1
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

patents stripe