CID 65600698

2-amino-3-(1-methyl-1h-1,2,4-triazol-5-yl)propanoic acid dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.08037 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 135.5
[M+Na]+ 193.06959 143.4
[M-H]- 169.07309 133.9
[M+NH4]+ 188.11419 152.4
[M+K]+ 209.04353 142.3
[M+H-H2O]+ 153.07763 127.8
[M+HCOO]- 215.07857 155.4
[M+CH3COO]- 229.09422 178.4
[M+Na-2H]- 191.05504 138.6
[M]+ 170.07982 134.2
[M]- 170.08092 134.2
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