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

22
Patents

170.08037 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 135.0
[M+Na]+ 193.069588 142.4
[M-H]- 169.073094 134.3
[M+NH4]+ 188.114193 152.3
[M+K]+ 209.043528 142.2
[M+H-H2O]+ 153.077630 126.7
[M+HCOO]- 215.078571 156.4
[M+CH3COO]- 229.094221 179.0
[M+Na-2H]- 191.055036 139.3
[M]+ 170.07982142 135.1
[M]- 170.08091858 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