CID 83441091

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

Structural Information

Molecular Formula
C7H12N4O2
SMILES
CCOC(=O)C(CC1=NC=NN1)N
InChI
InChI=1S/C7H12N4O2/c1-2-13-7(12)5(8)3-6-9-4-10-11-6/h4-5H,2-3,8H2,1H3,(H,9,10,11)
InChIKey
RHISXGDIYXHGIR-UHFFFAOYSA-N
Compound name
ethyl 2-amino-3-(1H-1,2,4-triazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.09602 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.103296 140.1
[M+Na]+ 207.085238 146.6
[M-H]- 183.088744 137.9
[M+NH4]+ 202.129843 156.1
[M+K]+ 223.059178 145.3
[M+H-H2O]+ 167.093280 131.9
[M+HCOO]- 229.094221 159.7
[M+CH3COO]- 243.109871 179.5
[M+Na-2H]- 205.070686 143.4
[M]+ 184.09547142 138.6
[M]- 184.09656858 138.6
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.