CID 61924182

1251120-60-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 135.1
[M+Na]+ 193.06959 142.0
[M-H]- 169.07309 133.5
[M+NH4]+ 188.11419 151.8
[M+K]+ 209.04353 141.2
[M+H-H2O]+ 153.07763 127.0
[M+HCOO]- 215.07857 155.6
[M+CH3COO]- 229.09422 177.8
[M+Na-2H]- 191.05504 140.0
[M]+ 170.07982 134.3
[M]- 170.08092 134.3
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.