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]+ 185.10330 140.1
[M+Na]+ 207.08524 146.6
[M-H]- 183.08874 137.9
[M+NH4]+ 202.12984 156.1
[M+K]+ 223.05918 145.3
[M+H-H2O]+ 167.09328 131.9
[M+HCOO]- 229.09422 159.7
[M+CH3COO]- 243.10987 179.5
[M+Na-2H]- 205.07069 143.4
[M]+ 184.09547 138.6
[M]- 184.09657 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.